(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one

C11H10ClFO2 — CID 131873383

IUPAC(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@@](CCl)(c2ccccc2F)O1
InChIInChI=1S/C11H10ClFO2/c12-7-11(6-5-10(14)15-11)8-3-1-2-4-9(8)13/h1-4H,5-7H2/t11-/m1/s1
InChIKeyOCLAGVHFMWVXBL-LLVKDONJSA-N
MW228.65 g/mol
LogP2.60
Rot. Bonds2

About (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one

(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one (PubChem CID 131873383) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one.

Molecular Properties

Compound Name(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
PubChem CID131873383
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Name(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one
SMILESO=C1CC[C@@](CCl)(c2ccccc2F)O1
InChIInChI=1S/C11H10ClFO2/c12-7-11(6-5-10(14)15-11)8-3-1-2-4-9(8)13/h1-4H,5-7H2/t11-/m1/s1
InChIKeyOCLAGVHFMWVXBL-LLVKDONJSA-N
XLogP2.60
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(chloromethyl)-5-phenyloxolan-2-one
CID 102486502
(5R)-5-(bromomethyl)-5-naphthalen-1-yloxolan-2-one
CID 139247618
(5S)-5-(4-chlorophenyl)-5-(iodomethyl)oxolan-2-one
CID 134918786
3-amino-3-(2-fluorophenyl)cyclopentan-1-one
CID 115019349
2-(2-fluorophenyl)-2-(phenylselanylmethyl)cyclopentan-1-one
CID 146161599
3-(2-fluorophenyl)-3-methyloxolane-2,5-dione
CID 43134872
5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
CID 105446893
5-(3,4-dichlorophenyl)-5-ethyloxolan-2-one
CID 11345954
(5R)-5-(4-bromophenyl)-5-(iodomethyl)oxolan-2-one
CID 44513613
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
5-(2-chlorobenzoyl)-5-(2-chlorophenyl)oxolan-2-one
CID 86070545
1-fluoro-2-[1-(2-fluorophenyl)cyclohexyl]benzene
CID 22420549

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one?
The IUPAC name of (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one (CID 131873383) is (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one.
What is the SMILES notation for (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one?
The canonical SMILES for (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one is O=C1CC[C@@](CCl)(c2ccccc2F)O1.
What is the InChIKey of (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one?
The InChIKey is OCLAGVHFMWVXBL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H10ClFO2/c12-7-11(6-5-10(14)15-11)8-3-1-2-4-9(8)13/h1-4H,5-7H2/t11-/m1/s1.
What are the key properties of (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one?
(5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one has a molecular weight of 228.65 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(chloromethyl)-5-(2-fluorophenyl)oxolan-2-one is sourced from PubChem (CID 131873383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).