2-cyclopentyl-3-fluorophenol

C11H13FO — CID 117104118

IUPAC2-cyclopentyl-3-fluorophenol
SMILESOc1cccc(F)c1C1CCCC1
InChIInChI=1S/C11H13FO/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2
InChIKeyLNIQLPCOQTWAIP-UHFFFAOYSA-N
MW180.22 g/mol
LogP3.19
Rot. Bonds1

About 2-cyclopentyl-3-fluorophenol

2-cyclopentyl-3-fluorophenol (PubChem CID 117104118) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 2-cyclopentyl-3-fluorophenol.

Molecular Properties

Compound Name2-cyclopentyl-3-fluorophenol
PubChem CID117104118
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name2-cyclopentyl-3-fluorophenol
SMILESOc1cccc(F)c1C1CCCC1
InChIInChI=1S/C11H13FO/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2
InChIKeyLNIQLPCOQTWAIP-UHFFFAOYSA-N
XLogP3.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-3-fluorophenol?
The IUPAC name of 2-cyclopentyl-3-fluorophenol (CID 117104118) is 2-cyclopentyl-3-fluorophenol.
What is the SMILES notation for 2-cyclopentyl-3-fluorophenol?
The canonical SMILES for 2-cyclopentyl-3-fluorophenol is Oc1cccc(F)c1C1CCCC1.
What is the InChIKey of 2-cyclopentyl-3-fluorophenol?
The InChIKey is LNIQLPCOQTWAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c12-9-6-3-7-10(13)11(9)8-4-1-2-5-8/h3,6-8,13H,1-2,4-5H2.
What are the key properties of 2-cyclopentyl-3-fluorophenol?
2-cyclopentyl-3-fluorophenol has a molecular weight of 180.22 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-3-fluorophenol is sourced from PubChem (CID 117104118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).