1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol

C11H16F6O — CID 162553293

IUPAC1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
SMILESCC1CCCC(CC(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H16F6O/c1-7-3-2-4-8(5-7)6-9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3
InChIKeyZHRSGHGKXNLSLH-UHFFFAOYSA-N
MW278.24 g/mol
LogP4.06
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol (PubChem CID 162553293) has the molecular formula C11H16F6O and a molecular weight of 278.24 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
PubChem CID162553293
Molecular FormulaC11H16F6O
Molecular Weight278.24 g/mol
Exact Mass278.11
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol
SMILESCC1CCCC(CC(O)(C(F)(F)F)C(F)(F)F)C1
InChIInChI=1S/C11H16F6O/c1-7-3-2-4-8(5-7)6-9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3
InChIKeyZHRSGHGKXNLSLH-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol (CID 162553293) is 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol is CC1CCCC(CC(O)(C(F)(F)F)C(F)(F)F)C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol?
The InChIKey is ZHRSGHGKXNLSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O/c1-7-3-2-4-8(5-7)6-9(18,10(12,13)14)11(15,16)17/h7-8,18H,2-6H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol has a molecular weight of 278.24 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[(3-methylcyclohexyl)methyl]propan-2-ol is sourced from PubChem (CID 162553293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).