1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol

C7H7F9O — CID 18676336

IUPAC1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
SMILESOC(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C7H7F9O/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15,16)17/h1-6,17H
InChIKeyCSEXVZKWORPSNK-UHFFFAOYSA-N
MW278.11 g/mol
LogP2.53
Rot. Bonds6

About 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol

1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol (PubChem CID 18676336) has the molecular formula C7H7F9O and a molecular weight of 278.11 g/mol. Its IUPAC name is 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol.

Molecular Properties

Compound Name1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
PubChem CID18676336
Molecular FormulaC7H7F9O
Molecular Weight278.11 g/mol
Exact Mass278.04
IUPAC Name1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
SMILESOC(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F
InChIInChI=1S/C7H7F9O/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15,16)17/h1-6,17H
InChIKeyCSEXVZKWORPSNK-UHFFFAOYSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.11
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol?
The IUPAC name of 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol (CID 18676336) is 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol.
What is the SMILES notation for 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol?
The canonical SMILES for 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol is OC(F)(F)C(F)C(F)C(F)C(F)C(F)C(F)F.
What is the InChIKey of 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol?
The InChIKey is CSEXVZKWORPSNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F9O/c8-1(2(9)4(11)6(13)14)3(10)5(12)7(15,16)17/h1-6,17H.
What are the key properties of 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol?
1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol has a molecular weight of 278.11 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol is sourced from PubChem (CID 18676336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).