1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol

C13H13FO — CID 10878259

IUPAC1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol
SMILESOC1(C#Cc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H13FO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,8-9H2
InChIKeyVRLSFKFUCQHSOM-UHFFFAOYSA-N
MW204.24 g/mol
LogP2.48
Rot. Bonds

About 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol

1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol (PubChem CID 10878259) has the molecular formula C13H13FO and a molecular weight of 204.24 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol
PubChem CID10878259
Molecular FormulaC13H13FO
Molecular Weight204.24 g/mol
Exact Mass204.10
IUPAC Name1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol
SMILESOC1(C#Cc2ccc(F)cc2)CCCC1
InChIInChI=1S/C13H13FO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,8-9H2
InChIKeyVRLSFKFUCQHSOM-UHFFFAOYSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.24
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol?
The IUPAC name of 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol (CID 10878259) is 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol?
The canonical SMILES for 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol is OC1(C#Cc2ccc(F)cc2)CCCC1.
What is the InChIKey of 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol?
The InChIKey is VRLSFKFUCQHSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO/c14-12-5-3-11(4-6-12)7-10-13(15)8-1-2-9-13/h3-6,15H,1-2,8-9H2.
What are the key properties of 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol?
1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol has a molecular weight of 204.24 g/mol, XLogP of 2.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)ethynyl]cyclopentan-1-ol is sourced from PubChem (CID 10878259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).