1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol

C11H17F2N3O — CID 107065626

IUPAC1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC(F)(F)CC2)nn1
InChIInChI=1S/C11H17F2N3O/c1-16-7-9(14-15-16)6-10(17)8-2-4-11(12,13)5-3-8/h7-8,10,17H,2-6H2,1H3
InChIKeyPUECZVXFTLUCOJ-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.54
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol

1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol (PubChem CID 107065626) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
PubChem CID107065626
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol
SMILESCn1cc(CC(O)C2CCC(F)(F)CC2)nn1
InChIInChI=1S/C11H17F2N3O/c1-16-7-9(14-15-16)6-10(17)8-2-4-11(12,13)5-3-8/h7-8,10,17H,2-6H2,1H3
InChIKeyPUECZVXFTLUCOJ-UHFFFAOYSA-N
XLogP1.54
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol (CID 107065626) is 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol is Cn1cc(CC(O)C2CCC(F)(F)CC2)nn1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
The InChIKey is PUECZVXFTLUCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-16-7-9(14-15-16)6-10(17)8-2-4-11(12,13)5-3-8/h7-8,10,17H,2-6H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol has a molecular weight of 245.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(1-methyltriazol-4-yl)ethanol is sourced from PubChem (CID 107065626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).