(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one

C16H19FO2 — CID 155935558

IUPAC(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@](CC2CCCC2)(c2ccc(F)cc2)O1
InChIInChI=1S/C16H19FO2/c17-14-7-5-13(6-8-14)16(10-9-15(18)19-16)11-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2/t16-/m0/s1
InChIKeyJRQOXLROWCHJBJ-INIZCTEOSA-N
MW262.32 g/mol
LogP3.94
Rot. Bonds3

About (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one

(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one (PubChem CID 155935558) has the molecular formula C16H19FO2 and a molecular weight of 262.32 g/mol. Its IUPAC name is (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one
PubChem CID155935558
Molecular FormulaC16H19FO2
Molecular Weight262.32 g/mol
Exact Mass262.14
IUPAC Name(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@](CC2CCCC2)(c2ccc(F)cc2)O1
InChIInChI=1S/C16H19FO2/c17-14-7-5-13(6-8-14)16(10-9-15(18)19-16)11-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2/t16-/m0/s1
InChIKeyJRQOXLROWCHJBJ-INIZCTEOSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

gamma-Phenyl-gamma-butyrolactone
CID 13884
5-(Iodomethyl)-3-methylidene-5-phenyloxolan-2-one
CID 11289970
5-(Bromomethyl)-5-(4-fluorophenyl)-3-methylideneoxolan-2-one
CID 148617041
5-(4-Fluorophenyl)-5-(iodomethyl)-3-methylideneoxolan-2-one
CID 147541433
Spiro(5H-dibenzo(a,d)cycloheptene-5,2'(5'H)-furan)-5'-one, 3',4',10,11-tetrahydro-4'-methylene-
CID 179617
4-Butyl-3-methylidene-5-phenyloxolan-2-one
CID 15646352
5-(Bromomethyl)-5-(2-fluorophenyl)-3-methylideneoxolan-2-one
CID 148013348
3-Methylidene-5-phenyl-5-(phenylselanylmethyl)oxolan-2-one
CID 156014380
5-Methyl-5-phenyloxolan-2-one
CID 88864
3-Methylene-5,5-diphenyldihydro-2(3H)-furanone
CID 549456
5-(4-Fluorophenyl)dihydro-3-methylene-2(3H)-furanone
CID 11106191
1-Phenyl-hexahydro-2-oxa-1,4-cyclo-inden-3-one
CID 648845

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one?
The IUPAC name of (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one (CID 155935558) is (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one is O=C1CC[C@](CC2CCCC2)(c2ccc(F)cc2)O1.
What is the InChIKey of (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one?
The InChIKey is JRQOXLROWCHJBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C16H19FO2/c17-14-7-5-13(6-8-14)16(10-9-15(18)19-16)11-12-3-1-2-4-12/h5-8,12H,1-4,9-11H2/t16-/m0/s1.
What are the key properties of (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one?
(5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one has a molecular weight of 262.32 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(cyclopentylmethyl)-5-(4-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 155935558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).