1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol

C10H14F6O — CID 23528231

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol
SMILESCC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h6-7,17H,2-5H2,1H3
InChIKeyNACQSJRLPPXKKB-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.67
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol (PubChem CID 23528231) has the molecular formula C10H14F6O and a molecular weight of 264.21 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol
PubChem CID23528231
Molecular FormulaC10H14F6O
Molecular Weight264.21 g/mol
Exact Mass264.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol
SMILESCC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h6-7,17H,2-5H2,1H3
InChIKeyNACQSJRLPPXKKB-UHFFFAOYSA-N
XLogP3.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.67
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-(4-methylcyclohexyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol (CID 23528231) is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol is CC1CCC(C(O)(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol?
The InChIKey is NACQSJRLPPXKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h6-7,17H,2-5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-ol has a molecular weight of 264.21 g/mol, XLogP of 3.67, 1 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-(4-methylcyclohexyl)propan-2-ol is sourced from PubChem (CID 23528231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).