5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol

C15H25F2N3O — CID 13490556

IUPAC5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(CF)(CF)C(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25F2N3O/c1-15(8-16,9-17)14(21)13(20-11-18-10-19-20)7-12-5-3-2-4-6-12/h10-14,21H,2-9H2,1H3
InChIKeyAFEAOUTUIJXLLC-UHFFFAOYSA-N
MW301.38 g/mol
LogP3.10
Rot. Bonds7

About 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol

5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol (PubChem CID 13490556) has the molecular formula C15H25F2N3O and a molecular weight of 301.38 g/mol. Its IUPAC name is 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol.

Molecular Properties

Compound Name5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
PubChem CID13490556
Molecular FormulaC15H25F2N3O
Molecular Weight301.38 g/mol
Exact Mass301.20
IUPAC Name5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(CF)(CF)C(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C15H25F2N3O/c1-15(8-16,9-17)14(21)13(20-11-18-10-19-20)7-12-5-3-2-4-6-12/h10-14,21H,2-9H2,1H3
InChIKeyAFEAOUTUIJXLLC-UHFFFAOYSA-N
XLogP3.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The IUPAC name of 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol (CID 13490556) is 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol.
What is the SMILES notation for 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The canonical SMILES for 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol is CC(CF)(CF)C(O)C(CC1CCCCC1)n1cncn1.
What is the InChIKey of 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The InChIKey is AFEAOUTUIJXLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F2N3O/c1-15(8-16,9-17)14(21)13(20-11-18-10-19-20)7-12-5-3-2-4-6-12/h10-14,21H,2-9H2,1H3.
What are the key properties of 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol has a molecular weight of 301.38 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol is sourced from PubChem (CID 13490556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).