(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride

C11H11Cl2F2NO — CID 162509745

IUPAC(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)c2ccc(F)c(Cl)c2F)CNC1.Cl
InChIInChI=1S/C11H10ClF2NO.ClH/c1-11(4-15-5-11)10(16)6-2-3-7(13)8(12)9(6)14;/h2-3,15H,4-5H2,1H3;1H
InChIKeyYJPDROSXPSYOBB-UHFFFAOYSA-N
MW282.12 g/mol
LogP2.83
Rot. Bonds2

About (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride

(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride (PubChem CID 162509745) has the molecular formula C11H11Cl2F2NO and a molecular weight of 282.12 g/mol. Its IUPAC name is (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
PubChem CID162509745
Molecular FormulaC11H11Cl2F2NO
Molecular Weight282.12 g/mol
Exact Mass281.02
IUPAC Name(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
SMILESCC1(C(=O)c2ccc(F)c(Cl)c2F)CNC1.Cl
InChIInChI=1S/C11H10ClF2NO.ClH/c1-11(4-15-5-11)10(16)6-2-3-7(13)8(12)9(6)14;/h2-3,15H,4-5H2,1H3;1H
InChIKeyYJPDROSXPSYOBB-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.12
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2,5-difluorophenyl)-(3-methylazetidin-3-yl)methanone
CID 131003049
(3-chloro-2,4-difluorophenyl)-(3,3-dimethylcyclobutyl)methanone
CID 167436532
(2-chlorothiophen-3-yl)-(3-methylazetidin-3-yl)methanone
CID 130987576
chloro 3-chloro-2,4-difluorobenzoate
CID 22149771
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
(3-methylazetidin-3-yl)-(4-methylphenyl)methanone
CID 131000770
(2,3-difluoro-4-methylphenyl)-(1-methylcyclohexyl)methanone
CID 107515108
(4-bromo-3-chloro-2-fluorophenyl)-(2-methylpyrrolidin-2-yl)methanone
CID 106764011
(4-bromo-3-chloro-2-fluorophenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 106763982
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
[(3aS,6aR)-3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 142469619
1-(3-chloro-2-fluoro-4-methylbenzoyl)-3-methylazetidine-3-carboxamide
CID 138002610

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride?
The IUPAC name of (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride (CID 162509745) is (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride.
What is the SMILES notation for (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride?
The canonical SMILES for (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride is CC1(C(=O)c2ccc(F)c(Cl)c2F)CNC1.Cl.
What is the InChIKey of (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride?
The InChIKey is YJPDROSXPSYOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF2NO.ClH/c1-11(4-15-5-11)10(16)6-2-3-7(13)8(12)9(6)14;/h2-3,15H,4-5H2,1H3;1H.
What are the key properties of (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride?
(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride has a molecular weight of 282.12 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride is sourced from PubChem (CID 162509745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).