1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol

C9H11F7O — CID 12735477

IUPAC1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F7O/c10-7(11,8(12,13)9(14,15)16)6(17)4-2-1-3-5-6/h17H,1-5H2
InChIKeyNLVQZFWYIWBJSK-UHFFFAOYSA-N
MW268.17 g/mol
LogP3.51
Rot. Bonds2

About 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol

1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol (PubChem CID 12735477) has the molecular formula C9H11F7O and a molecular weight of 268.17 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol
PubChem CID12735477
Molecular FormulaC9H11F7O
Molecular Weight268.17 g/mol
Exact Mass268.07
IUPAC Name1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C9H11F7O/c10-7(11,8(12,13)9(14,15)16)6(17)4-2-1-3-5-6/h17H,1-5H2
InChIKeyNLVQZFWYIWBJSK-UHFFFAOYSA-N
XLogP3.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-(Trifluoromethyl)cyclohexanol
CID 11275228
2-Cyclohexyl-1,1,1-trifluoropropan-2-ol
CID 61644687
4,4-Difluoro-1-methylcyclohexan-1-ol
CID 66602618
1-(Difluoromethyl)cyclohexan-1-ol
CID 80604617
1-(3,3,3-Trifluoroprop-1-ynyl)cyclohexan-1-ol
CID 3631002
1-(1,1,2,2,2-Pentafluoroethyl)cyclohexanol
CID 13495698
Perfluoroethylcyclohexanol
CID 129759965
7,7,8,8,9,9,10,10,10-Nonafluoro-5-methyldecan-5-ol
CID 134957960
1,1,1,2,2,3,3,4,4,5,5,6,6,12,12,13,13,14,14,15,15,16,16,17,17,17-Hexacosafluoro-9-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)heptadecan-9-ol
CID 11051421
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclopentanol
CID 21588245
1-(1,1,2,3,3,3-Hexafluoropropyl)cyclohexanol
CID 21588246
1-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctyl)cyclohexan-1-ol
CID 101874589

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol (CID 12735477) is 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol is OC1(C(F)(F)C(F)(F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol?
The InChIKey is NLVQZFWYIWBJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O/c10-7(11,8(12,13)9(14,15)16)6(17)4-2-1-3-5-6/h17H,1-5H2.
What are the key properties of 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol?
1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol has a molecular weight of 268.17 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,3-heptafluoropropyl)cyclohexan-1-ol is sourced from PubChem (CID 12735477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).