Chemical ID: 5001957

CCCC(C(C(C(F)(F)F)(F)F)(F)F)O
Chemical ID:
5001957
Name [?]:
1,1,1,2,2,3,3-heptafluoroheptan-4-ol
SMILES [?]:
CCCC(C(C(C(F)(F)F)(F)F)(F)F)O
InChi [?]:
InChI=1/C7H9F7O/c1-2-3-4(15)5(8,9)6(10,11)7(12,13)14/h4,15H,2-3H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,3,4,5,6,7,13,14,11,12,8,9,10,15/E:(8,9)(10,11)(12,13,14)/rA:15cCCCCCCCFFFFFFFO/rB:s1;s2;s3;s4;s5;s6;s7;s7;s7;s6;s6;s5;s5;s4;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H9F7O
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:5.36001
Area:334.482
Solvation:-3.00204
Coulombic:-58.449
Bond Count [?]
All:14
Single:14
Double:0
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:242.135
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.39
LogP (Chemaxon):3.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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