2-cyclohexyl-6,6,6-trifluorohexan-2-ol

C12H21F3O — CID 116535957

IUPAC2-cyclohexyl-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3O/c1-11(16,8-5-9-12(13,14)15)10-6-3-2-4-7-10/h10,16H,2-9H2,1H3
InChIKeyKHHOOXZYSZFDJV-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.05
Rot. Bonds4

About 2-cyclohexyl-6,6,6-trifluorohexan-2-ol

2-cyclohexyl-6,6,6-trifluorohexan-2-ol (PubChem CID 116535957) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclohexyl-6,6,6-trifluorohexan-2-ol.

Molecular Properties

Compound Name2-cyclohexyl-6,6,6-trifluorohexan-2-ol
PubChem CID116535957
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-cyclohexyl-6,6,6-trifluorohexan-2-ol
SMILESCC(O)(CCCC(F)(F)F)C1CCCCC1
InChIInChI=1S/C12H21F3O/c1-11(16,8-5-9-12(13,14)15)10-6-3-2-4-7-10/h10,16H,2-9H2,1H3
InChIKeyKHHOOXZYSZFDJV-UHFFFAOYSA-N
XLogP4.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6,6,6-trifluorohexan-2-ol?
The IUPAC name of 2-cyclohexyl-6,6,6-trifluorohexan-2-ol (CID 116535957) is 2-cyclohexyl-6,6,6-trifluorohexan-2-ol.
What is the SMILES notation for 2-cyclohexyl-6,6,6-trifluorohexan-2-ol?
The canonical SMILES for 2-cyclohexyl-6,6,6-trifluorohexan-2-ol is CC(O)(CCCC(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-6,6,6-trifluorohexan-2-ol?
The InChIKey is KHHOOXZYSZFDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-11(16,8-5-9-12(13,14)15)10-6-3-2-4-7-10/h10,16H,2-9H2,1H3.
What are the key properties of 2-cyclohexyl-6,6,6-trifluorohexan-2-ol?
2-cyclohexyl-6,6,6-trifluorohexan-2-ol has a molecular weight of 238.29 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6,6,6-trifluorohexan-2-ol is sourced from PubChem (CID 116535957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).