trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

C16H20FN3O — CID 175832998

About trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol

trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (PubChem CID 175832998) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

Molecular Properties

• Compound Name: trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
• PubChem CID: 175832998
• Molecular Formula: C16H20FN3O
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.16
• IUPAC Name: trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol
• SMILES: C[C@]1(Cc2ccc(F)cc2)CCC[C@@]1(O)Cn1cncn1
• InChI: InChI=1S/C16H20FN3O/c1-15(9-13-3-5-14(17)6-4-13)7-2-8-16(15,21)10-20-12-18-11-19-20/h3-6,11-12,21H,2,7-10H2,1H3/t15-,16-/m1/s1
• InChIKey: SGXDNSRYAGAASJ-HZPDHXFCSA-N
• XLogP: 2.58
• TPSA: 50.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.35
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The IUPAC name of trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol (CID 175832998) is trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol.

What is the SMILES notation for trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The canonical SMILES for trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is C[C@]1(Cc2ccc(F)cc2)CCC[C@@]1(O)Cn1cncn1.

What is the InChIKey of trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

The InChIKey is SGXDNSRYAGAASJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-15(9-13-3-5-14(17)6-4-13)7-2-8-16(15,21)10-20-12-18-11-19-20/h3-6,11-12,21H,2,7-10H2,1H3/t15-,16-/m1/s1.

What are the key properties of trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol?

trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol has a molecular weight of 289.35 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1S,2R)-2-[(4-fluorophenyl)methyl]-2-methyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol is sourced from PubChem (CID 175832998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).