3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one

C12H13F2NO3 — CID 43824124

IUPAC3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO3/c13-12(14)18-10-4-2-1-3-8(10)7-15-9-5-6-17-11(9)16/h1-4,9,12,15H,5-7H2
InChIKeyRBSUMHDBZCIEQV-UHFFFAOYSA-N
MW257.24 g/mol
LogP1.69
Rot. Bonds5

About 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one

3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one (PubChem CID 43824124) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
PubChem CID43824124
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one
SMILESO=C1OCCC1NCc1ccccc1OC(F)F
InChIInChI=1S/C12H13F2NO3/c13-12(14)18-10-4-2-1-3-8(10)7-15-9-5-6-17-11(9)16/h1-4,9,12,15H,5-7H2
InChIKeyRBSUMHDBZCIEQV-UHFFFAOYSA-N
XLogP1.69
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-bromophenyl)methylamino]oxolan-2-one
CID 43824145
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylcyclopentan-1-amine
CID 63277687
3-[(2,6-dichlorophenyl)methylamino]oxolan-2-one
CID 43824125
N-[[2-(difluoromethoxy)phenyl]methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103560901
1-cyclobutyl-N-[[2-(difluoromethoxy)phenyl]methyl]methanamine
CID 43298345
3-[(2-chloro-6-fluorophenyl)methylamino]oxolan-2-one
CID 43824109
2-cyclopropyl-N-[[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 115592704
N-[[2-(difluoromethoxy)phenyl]methyl]-5-methylthiolan-3-amine
CID 79942525
N-[[2-(difluoromethoxy)phenyl]methyl]-1-(2-methylcyclohexyl)methanamine
CID 63456082
1-[2-(difluoromethoxy)phenyl]-N-methoxymethanamine
CID 115280691
[2-[[2-(difluoromethoxy)phenyl]methylamino]-1-methylcyclopentyl]methanol
CID 111468790
3-(2-phenylethylamino)oxolan-2-one
CID 43823897

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one (CID 43824124) is 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one is O=C1OCCC1NCc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one?
The InChIKey is RBSUMHDBZCIEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-12(14)18-10-4-2-1-3-8(10)7-15-9-5-6-17-11(9)16/h1-4,9,12,15H,5-7H2.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one?
3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one has a molecular weight of 257.24 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methylamino]oxolan-2-one is sourced from PubChem (CID 43824124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).