1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol

C14H23F2N3O — CID 68947406

IUPAC1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(F)(F)CC(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-14(15,16)8-13(20)12(19-10-17-9-18-19)7-11-5-3-2-4-6-11/h9-13,20H,2-8H2,1H3
InChIKeyIJGIXPUFRXJKEV-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.20
Rot. Bonds6

About 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol

1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol (PubChem CID 68947406) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
PubChem CID68947406
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol
SMILESCC(F)(F)CC(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-14(15,16)8-13(20)12(19-10-17-9-18-19)7-11-5-3-2-4-6-11/h9-13,20H,2-8H2,1H3
InChIKeyIJGIXPUFRXJKEV-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol?
The IUPAC name of 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol (CID 68947406) is 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol.
What is the SMILES notation for 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol?
The canonical SMILES for 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol is CC(F)(F)CC(O)C(CC1CCCCC1)n1cncn1.
What is the InChIKey of 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol?
The InChIKey is IJGIXPUFRXJKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-14(15,16)8-13(20)12(19-10-17-9-18-19)7-11-5-3-2-4-6-11/h9-13,20H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol?
1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol has a molecular weight of 287.35 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5,5-difluoro-2-(1,2,4-triazol-1-yl)hexan-3-ol is sourced from PubChem (CID 68947406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).