(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one

C11H11FO2 — CID 155931195

IUPAC(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one
SMILESCC1OC(=O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-7-10(6-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1
InChIKeyQXBMOVMZGKWXSF-MHPPCMCBSA-N
MW194.20 g/mol
LogP2.24
Rot. Bonds1

About (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one

(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one (PubChem CID 155931195) has the molecular formula C11H11FO2 and a molecular weight of 194.20 g/mol. Its IUPAC name is (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one.

Molecular Properties

Compound Name(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one
PubChem CID155931195
Molecular FormulaC11H11FO2
Molecular Weight194.20 g/mol
Exact Mass194.07
IUPAC Name(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one
SMILESCC1OC(=O)C[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C11H11FO2/c1-7-10(6-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1
InChIKeyQXBMOVMZGKWXSF-MHPPCMCBSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenethyl hexanoate
CID 61384
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600
Ethyl 3-phenylpropionate
CID 16237
Isobutyl phenylacetate
CID 60998
Hexyl phenylacetate
CID 221691
Phenethyl octanoate
CID 229888
Butyl phenylacetate
CID 31210
Propyl phenylacetate
CID 221641
3-Hexenyl phenylacetate, (3Z)-
CID 5367698
Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one?
The IUPAC name of (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one (CID 155931195) is (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one.
What is the SMILES notation for (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one?
The canonical SMILES for (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one is CC1OC(=O)C[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one?
The InChIKey is QXBMOVMZGKWXSF-MHPPCMCBSA-N. The full InChI is InChI=1S/C11H11FO2/c1-7-10(6-11(13)14-7)8-2-4-9(12)5-3-8/h2-5,7,10H,6H2,1H3/t7?,10-/m0/s1.
What are the key properties of (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one?
(4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one has a molecular weight of 194.20 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-fluorophenyl)-5-methyloxolan-2-one is sourced from PubChem (CID 155931195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).