1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol

C10H13F7O — CID 154329934

IUPAC1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESOC(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h6-7,18H,1-5H2
InChIKeyJKZMKNSFNJZEFV-UHFFFAOYSA-N
MW282.20 g/mol
LogP3.76
Rot. Bonds3

About 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol

1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol (PubChem CID 154329934) has the molecular formula C10H13F7O and a molecular weight of 282.20 g/mol. Its IUPAC name is 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol.

Molecular Properties

Compound Name1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
PubChem CID154329934
Molecular FormulaC10H13F7O
Molecular Weight282.20 g/mol
Exact Mass282.09
IUPAC Name1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol
SMILESOC(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H13F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h6-7,18H,1-5H2
InChIKeyJKZMKNSFNJZEFV-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.20
LogP ≤ 53.76
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

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CID 61392890

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The IUPAC name of 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol (CID 154329934) is 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol.
What is the SMILES notation for 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The canonical SMILES for 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol is OC(C1CCCCC1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
The InChIKey is JKZMKNSFNJZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F7O/c11-8(12,9(13,14)10(15,16)17)7(18)6-4-2-1-3-5-6/h6-7,18H,1-5H2.
What are the key properties of 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol?
1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol has a molecular weight of 282.20 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,2,3,3,4,4,4-heptafluorobutan-1-ol is sourced from PubChem (CID 154329934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).