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

C11H12FNO2 — CID 43824122

IUPAC3-[(2-fluorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyJALVSHGXHJCOCD-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.23
Rot. Bonds3

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

3-[(2-fluorophenyl)methylamino]oxolan-2-one (PubChem CID 43824122) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylamino]oxolan-2-one
PubChem CID43824122
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name3-[(2-fluorophenyl)methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1F
InChIInChI=1S/C11H12FNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2
InChIKeyJALVSHGXHJCOCD-UHFFFAOYSA-N
XLogP1.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
CID 43824109
3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
CID 43824124
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
N-[(2-fluorophenyl)methyl]-7-methoxy-3,4-dihydro-2H-chromen-4-amine
CID 82461749
3-(2-phenylethylamino)oxolan-2-one
CID 43823897
N-[(2-fluorophenyl)methyl]cyclopentanamine
CID 1080487
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066
N-[(2-fluorophenyl)methyl]cycloheptanamine
CID 4719917
(3S)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820411
(3R)-3-[(2-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 820410
2-cyclopropyl-N-[(2-fluorophenyl)methyl]oxolan-3-amine
CID 103864475

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylamino]oxolan-2-one?
The IUPAC name of 3-[(2-fluorophenyl)methylamino]oxolan-2-one (CID 43824122) is 3-[(2-fluorophenyl)methylamino]oxolan-2-one.
What is the SMILES notation for 3-[(2-fluorophenyl)methylamino]oxolan-2-one?
The canonical SMILES for 3-[(2-fluorophenyl)methylamino]oxolan-2-one is O=C1OCCC1NCc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methylamino]oxolan-2-one?
The InChIKey is JALVSHGXHJCOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-4-2-1-3-8(9)7-13-10-5-6-15-11(10)14/h1-4,10,13H,5-7H2.
What are the key properties of 3-[(2-fluorophenyl)methylamino]oxolan-2-one?
3-[(2-fluorophenyl)methylamino]oxolan-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylamino]oxolan-2-one is sourced from PubChem (CID 43824122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).