2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

C14H16FN3O — CID 67593132

IUPAC2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cnnc1C1CCC(O)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-18-8-16-17-14(18)11-6-7-12(19)13(11)9-2-4-10(15)5-3-9/h2-5,8,11-13,19H,6-7H2,1H3
InChIKeyVIRSTBTYGCPQTR-UHFFFAOYSA-N
MW261.30 g/mol
LogP1.98
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol

2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (PubChem CID 67593132) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
PubChem CID67593132
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol
SMILESCn1cnnc1C1CCC(O)C1c1ccc(F)cc1
InChIInChI=1S/C14H16FN3O/c1-18-8-16-17-14(18)11-6-7-12(19)13(11)9-2-4-10(15)5-3-9/h2-5,8,11-13,19H,6-7H2,1H3
InChIKeyVIRSTBTYGCPQTR-UHFFFAOYSA-N
XLogP1.98
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol (CID 67593132) is 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is Cn1cnnc1C1CCC(O)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
The InChIKey is VIRSTBTYGCPQTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c1-18-8-16-17-14(18)11-6-7-12(19)13(11)9-2-4-10(15)5-3-9/h2-5,8,11-13,19H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol?
2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol has a molecular weight of 261.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclopentan-1-ol is sourced from PubChem (CID 67593132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).