2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one

C12H13FO2 — CID 175264428

IUPAC2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one
SMILESO=C1CC(CO)CC1(F)c1ccccc1
InChIInChI=1S/C12H13FO2/c13-12(10-4-2-1-3-5-10)7-9(8-14)6-11(12)15/h1-5,9,14H,6-8H2
InChIKeyKMESVQHPTKZSBW-UHFFFAOYSA-N
MW208.23 g/mol
LogP1.82
Rot. Bonds2

About 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one

2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one (PubChem CID 175264428) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one.

Molecular Properties

Compound Name2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one
PubChem CID175264428
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one
SMILESO=C1CC(CO)CC1(F)c1ccccc1
InChIInChI=1S/C12H13FO2/c13-12(10-4-2-1-3-5-10)7-9(8-14)6-11(12)15/h1-5,9,14H,6-8H2
InChIKeyKMESVQHPTKZSBW-UHFFFAOYSA-N
XLogP1.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one?
The IUPAC name of 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one (CID 175264428) is 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one.
What is the SMILES notation for 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one?
The canonical SMILES for 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one is O=C1CC(CO)CC1(F)c1ccccc1.
What is the InChIKey of 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one?
The InChIKey is KMESVQHPTKZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c13-12(10-4-2-1-3-5-10)7-9(8-14)6-11(12)15/h1-5,9,14H,6-8H2.
What are the key properties of 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one?
2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one has a molecular weight of 208.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(hydroxymethyl)-2-phenylcyclopentan-1-one is sourced from PubChem (CID 175264428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).