1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol

C10H11F9O — CID 11301571

IUPAC1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H11F9O/c11-7(12,6(20)4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h20H,1-5H2
InChIKeyJHDVJUAVXPEDSK-UHFFFAOYSA-N
MW318.18 g/mol
LogP4.15
Rot. Bonds3

About 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol

1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol (PubChem CID 11301571) has the molecular formula C10H11F9O and a molecular weight of 318.18 g/mol. Its IUPAC name is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol
PubChem CID11301571
Molecular FormulaC10H11F9O
Molecular Weight318.18 g/mol
Exact Mass318.07
IUPAC Name1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol
SMILESOC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H11F9O/c11-7(12,6(20)4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h20H,1-5H2
InChIKeyJHDVJUAVXPEDSK-UHFFFAOYSA-N
XLogP4.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol (CID 11301571) is 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol is OC1(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCCC1.
What is the InChIKey of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol?
The InChIKey is JHDVJUAVXPEDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O/c11-7(12,6(20)4-2-1-3-5-6)8(13,14)9(15,16)10(17,18)19/h20H,1-5H2.
What are the key properties of 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol?
1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol has a molecular weight of 318.18 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)cyclohexan-1-ol is sourced from PubChem (CID 11301571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).