Chemical ID: 4114924

c1cc(c(cc1C(F)(F)F)F)C=O
Chemical ID:
4114924
Name [?]:
2-fluoro-4-(trifluoromethyl)benzaldehyde
SMILES [?]:
c1cc(c(cc1C(F)(F)F)F)C=O
InChi [?]:
InChI=1/C8H4F4O/c9-7-3-6(8(10,11)12)2-1-5(7)4-13/h1-4H
InChi Info:
AuxInfo=1/0/N:2,1,5,12,3,6,4,7,11,8,9,10,13/E:(10,11,12)/rA:13nCCCCCCCFFFFCO/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s3;d12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4F4O
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:3.00372
Area:305.914
Solvation:-4.64412
Coulombic:-27.3909
Bond Count [?]
All:13
Single:9
Double:4
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:192.11
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.8
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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