6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol

C16H27F2N3O — CID 54559385

IUPAC6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(CF)(CF)C(O)C(CCC1CCCCC1)n1cncn1
InChIInChI=1S/C16H27F2N3O/c1-16(9-17,10-18)15(22)14(21-12-19-11-20-21)8-7-13-5-3-2-4-6-13/h11-15,22H,2-10H2,1H3
InChIKeyZPLZPCAXGYZXED-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.49
Rot. Bonds8

About 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol

6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol (PubChem CID 54559385) has the molecular formula C16H27F2N3O and a molecular weight of 315.41 g/mol. Its IUPAC name is 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
PubChem CID54559385
Molecular FormulaC16H27F2N3O
Molecular Weight315.41 g/mol
Exact Mass315.21
IUPAC Name6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(CF)(CF)C(O)C(CCC1CCCCC1)n1cncn1
InChIInChI=1S/C16H27F2N3O/c1-16(9-17,10-18)15(22)14(21-12-19-11-20-21)8-7-13-5-3-2-4-6-13/h11-15,22H,2-10H2,1H3
InChIKeyZPLZPCAXGYZXED-UHFFFAOYSA-N
XLogP3.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol with MolForge

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Launch Full Analysis

Related Compounds

5-Cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 13490556
1-Cyclohexyl-5-fluoro-4-(fluoromethyl)-4-methyl-2-(1,2,4-triazol-1-yl)hexan-3-ol
CID 20155926
5-Cyclohexyl-1-fluoro-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 20155928
6-Cyclohexyl-1-fluoro-2,2-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 20155931
5-Cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 21290931
5-Cyclohexyl-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 54367926
5-Cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 57146284
6-Cyclohexyl-1,2-difluoro-2,5-dimethyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 57245700
1-Cyclohexyl-6,6-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
CID 68947402
1-Cyclohexyl-4,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
CID 68947405
1-Cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
CID 68947406
1-Cyclohexyl-5,6-difluoro-5-methyl-3-(1,2,4-triazol-1-yl)heptan-4-ol
CID 70432955

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The IUPAC name of 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol (CID 54559385) is 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol.
What is the SMILES notation for 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The canonical SMILES for 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol is CC(CF)(CF)C(O)C(CCC1CCCCC1)n1cncn1.
What is the InChIKey of 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol?
The InChIKey is ZPLZPCAXGYZXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F2N3O/c1-16(9-17,10-18)15(22)14(21-12-19-11-20-21)8-7-13-5-3-2-4-6-13/h11-15,22H,2-10H2,1H3.
What are the key properties of 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol?
6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol has a molecular weight of 315.41 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol is sourced from PubChem (CID 54559385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).