3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one

C11H11ClFNO2 — CID 43824109

IUPAC3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2
InChIKeyOQSMAUABSTXGMH-UHFFFAOYSA-N
MW243.66 g/mol
LogP1.88
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one

3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one (PubChem CID 43824109) has the molecular formula C11H11ClFNO2 and a molecular weight of 243.66 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
PubChem CID43824109
Molecular FormulaC11H11ClFNO2
Molecular Weight243.66 g/mol
Exact Mass243.05
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1c(F)cccc1Cl
InChIInChI=1S/C11H11ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2
InChIKeyOQSMAUABSTXGMH-UHFFFAOYSA-N
XLogP1.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.66
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
3-[(2-fluorophenyl)methylamino]oxolan-2-one
CID 43824122
N-[(2-chloro-6-fluorophenyl)methyl]cycloheptanamine
CID 4720325
N-[(2-chloro-6-fluorophenyl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 43181892
3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
N-[(2-chloro-6-fluorophenyl)methyl]-1-cyclopropylpiperidin-4-amine
CID 43234137
N-[(2-chloro-6-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 115652971
(3S,4R)-3-[(2-chloro-6-fluorophenyl)methylamino]-4-methylpiperidin-2-one
CID 124626401
N-[(2-chloro-6-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62840949
3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
CID 43824124
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834291
N-[(2-chloro-6-fluorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 834224

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one (CID 43824109) is 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one is O=C1OCCC1NCc1c(F)cccc1Cl.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one?
The InChIKey is OQSMAUABSTXGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO2/c12-8-2-1-3-9(13)7(8)6-14-10-4-5-16-11(10)15/h1-3,10,14H,4-6H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one?
3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one has a molecular weight of 243.66 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).