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

C14H23F2N3O — CID 21290931

IUPAC5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(C(F)F)C(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-10(14(15)16)13(20)12(19-9-17-8-18-19)7-11-5-3-2-4-6-11/h8-14,20H,2-7H2,1H3
InChIKeyMBJZWLOWMPLXSW-UHFFFAOYSA-N
MW287.35 g/mol
LogP3.05
Rot. Bonds6

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

5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol (PubChem CID 21290931) has the molecular formula C14H23F2N3O and a molecular weight of 287.35 g/mol. Its IUPAC name is 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol.

Molecular Properties

Compound Name5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
PubChem CID21290931
Molecular FormulaC14H23F2N3O
Molecular Weight287.35 g/mol
Exact Mass287.18
IUPAC Name5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
SMILESCC(C(F)F)C(O)C(CC1CCCCC1)n1cncn1
InChIInChI=1S/C14H23F2N3O/c1-10(14(15)16)13(20)12(19-9-17-8-18-19)7-11-5-3-2-4-6-11/h8-14,20H,2-7H2,1H3
InChIKeyMBJZWLOWMPLXSW-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol with MolForge

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Related Compounds

3-[1,2,4]Triazol-1-yl-nonan-2-ol
CID 44304637
1-(2-Hydroxy-3-nonyl)-1,2,4-triazole
CID 192582
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-2,2-difluoro-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 54367926
6-Cyclohexyl-1-fluoro-2-(fluoromethyl)-2-methyl-4-(1,2,4-triazol-1-yl)hexan-3-ol
CID 54559385
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

Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The IUPAC name of 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol (CID 21290931) is 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol.
What is the SMILES notation for 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The canonical SMILES for 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol is CC(C(F)F)C(O)C(CC1CCCCC1)n1cncn1.
What is the InChIKey of 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
The InChIKey is MBJZWLOWMPLXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F2N3O/c1-10(14(15)16)13(20)12(19-9-17-8-18-19)7-11-5-3-2-4-6-11/h8-14,20H,2-7H2,1H3.
What are the key properties of 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol?
5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol has a molecular weight of 287.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-1,1-difluoro-2-methyl-4-(1,2,4-triazol-1-yl)pentan-3-ol is sourced from PubChem (CID 21290931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).