(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol

C11H15F3O2 — CID 135038465

IUPAC(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol
SMILESCC(O)(C=C=C1CCCC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-10(16,11(12,13)14)7-6-8-4-2-3-5-9(8)15/h7,9,15-16H,2-5H2,1H3/t6?,9-,10?/m0/s1
InChIKeyHTOFWUHFZWFSEY-CMHPJINISA-N
MW236.23 g/mol
LogP2.32
Rot. Bonds1

About (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol

(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol (PubChem CID 135038465) has the molecular formula C11H15F3O2 and a molecular weight of 236.23 g/mol. Its IUPAC name is (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol.

Molecular Properties

Compound Name(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol
PubChem CID135038465
Molecular FormulaC11H15F3O2
Molecular Weight236.23 g/mol
Exact Mass236.10
IUPAC Name(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol
SMILESCC(O)(C=C=C1CCCC[C@@H]1O)C(F)(F)F
InChIInChI=1S/C11H15F3O2/c1-10(16,11(12,13)14)7-6-8-4-2-3-5-9(8)15/h7,9,15-16H,2-5H2,1H3/t6?,9-,10?/m0/s1
InChIKeyHTOFWUHFZWFSEY-CMHPJINISA-N
XLogP2.32
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol?
The IUPAC name of (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol (CID 135038465) is (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol.
What is the SMILES notation for (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol?
The canonical SMILES for (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol is CC(O)(C=C=C1CCCC[C@@H]1O)C(F)(F)F.
What is the InChIKey of (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol?
The InChIKey is HTOFWUHFZWFSEY-CMHPJINISA-N. The full InChI is InChI=1S/C11H15F3O2/c1-10(16,11(12,13)14)7-6-8-4-2-3-5-9(8)15/h7,9,15-16H,2-5H2,1H3/t6?,9-,10?/m0/s1.
What are the key properties of (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol?
(1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol has a molecular weight of 236.23 g/mol, XLogP of 2.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4,4,4-trifluoro-3-hydroxy-3-methylbut-1-enylidene)cyclohexan-1-ol is sourced from PubChem (CID 135038465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).