(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone

C11H10ClF3N2O — CID 171678646

IUPAC(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESNC1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10ClF3N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10(18)17-4-7(16)5-17/h1-3,7H,4-5,16H2
InChIKeyRBFKQXDSJJBUOH-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.14
Rot. Bonds1

About (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone

(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 171678646) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
PubChem CID171678646
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone
SMILESNC1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1
InChIInChI=1S/C11H10ClF3N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10(18)17-4-7(16)5-17/h1-3,7H,4-5,16H2
InChIKeyRBFKQXDSJJBUOH-UHFFFAOYSA-N
XLogP2.14
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminoazetidin-1-yl)-(3-chloro-4-iodophenyl)methanone
CID 103209522
[4-amino-3-(trifluoromethyl)phenyl]-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106673725
[4-chloro-3-(trifluoromethyl)phenyl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 86780452
(3-aminopyrrolidin-1-yl)-(3,4-dichlorophenyl)methanone
CID 59657843
1-[4-chloro-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone
CID 124526986
(3-aminopyrrolidin-1-yl)-[3-bromo-4-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 176508133
[4-chloro-3-(trifluoromethyl)phenyl]-cyclohexylmethanone
CID 94299802
(3-amino-4-chlorophenyl)-(3-hydroxyazetidin-1-yl)methanone
CID 107209964
[(3R)-3-aminopyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone;hydrochloride
CID 119413588
(3S,4S)-1-[4-fluoro-3-(trifluoromethyl)benzoyl]-4-methylpyrrolidine-3-carboxamide
CID 128984209
(3-aminoazetidin-1-yl)-quinoxalin-6-ylmethanone
CID 63754364
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(trifluoromethyl)phenyl]methanone;hydrochloride
CID 120660150

Frequently Asked Questions

What is the IUPAC name of (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone (CID 171678646) is (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone is NC1CN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)C1.
What is the InChIKey of (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is RBFKQXDSJJBUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-9-2-1-6(3-8(9)11(13,14)15)10(18)17-4-7(16)5-17/h1-3,7H,4-5,16H2.
What are the key properties of (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone?
(3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 278.66 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminoazetidin-1-yl)-[4-chloro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 171678646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).