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Chemical ID: 4285933

Chemical ID:

4285933

Name [?]:

1-fluoro-2-[6-(2-fluorophenoxy)hexoxy]benzene

SMILES [?]:

c1ccc(c(c1)OCCCCCCOc2ccccc2F)F

InChi [?]:

InChI=1/C18H20F2O2/c19-15-9-3-5-11-17(15)21-13-7-1-2-8-14-22-18-12-6-4-10-16(18)20/h3-6,9-12H,1-2,7-8,13-14H2

InChi Info:

AuxInfo=1/0/N:10,11,2,18,1,17,9,12,3,19,6,16,8,13,4,20,5,15,22,21,7,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)/rA:22nCCCCCCOCCCCCCOCCCCCCFF/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;s20;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₈H₂₀F₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	7.64102
Area:	535.714
Solvation:	-5.75182
Coulombic:	-25.6062

Bond Count [?]

All:	23
Single:	17
Double:	6
Rotors:	9
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	306.347
H-Bond Donors:	0
H-Bond Acceptors:	2
XLogP:	5.42
LogP (Chemaxon):	4.98

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value