(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone

C8H10Cl2FNO — CID 130612894

IUPAC(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1(C(=O)N2CC(F)C2)CC1(Cl)Cl
InChIInChI=1S/C8H10Cl2FNO/c1-7(4-8(7,9)10)6(13)12-2-5(11)3-12/h5H,2-4H2,1H3
InChIKeyFWLSLKJSJPMYCF-UHFFFAOYSA-N
MW226.08 g/mol
LogP1.75
Rot. Bonds1

About (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone

(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone (PubChem CID 130612894) has the molecular formula C8H10Cl2FNO and a molecular weight of 226.08 g/mol. Its IUPAC name is (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone.

Molecular Properties

Compound Name(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
PubChem CID130612894
Molecular FormulaC8H10Cl2FNO
Molecular Weight226.08 g/mol
Exact Mass225.01
IUPAC Name(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone
SMILESCC1(C(=O)N2CC(F)C2)CC1(Cl)Cl
InChIInChI=1S/C8H10Cl2FNO/c1-7(4-8(7,9)10)6(13)12-2-5(11)3-12/h5H,2-4H2,1H3
InChIKeyFWLSLKJSJPMYCF-UHFFFAOYSA-N
XLogP1.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.08
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-dichloro-N-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78865272
2,2-dichloro-1-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78882906
N-butyl-2,2-dichloro-1-methyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 78884120
[3-(Chloromethyl)azetidin-1-yl]-(2-fluoro-1-methylcyclopropyl)methanone
CID 131198171
2,2-dichloro-N,N-diethyl-1-methylcyclopropane-1-carboxamide
CID 78783668
2,2-dichloro-1-methyl-N,N-dipropylcyclopropane-1-carboxamide
CID 78784669
Azetidin-1-yl-(2,2-dichloro-1-methylcyclopropyl)methanone
CID 78819830
2,2-dichloro-N,1-dimethyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 78843881
2,2-dichloro-1-methyl-N,N-bis(2-methylpropyl)cyclopropane-1-carboxamide
CID 78861201
(2,2-Dichloro-1-methylcyclopropyl)-(3-methylazetidin-1-yl)methanone
CID 126992695
(2,2-Dichloro-1-methylcyclopropyl)-(2-methylazetidin-1-yl)methanone
CID 127001186
2,2-dichloro-N-ethyl-N,1-dimethylcyclopropane-1-carboxamide
CID 130627558

Frequently Asked Questions

What is the IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The IUPAC name of (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone (CID 130612894) is (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone.
What is the SMILES notation for (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The canonical SMILES for (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone is CC1(C(=O)N2CC(F)C2)CC1(Cl)Cl.
What is the InChIKey of (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
The InChIKey is FWLSLKJSJPMYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2FNO/c1-7(4-8(7,9)10)6(13)12-2-5(11)3-12/h5H,2-4H2,1H3.
What are the key properties of (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone?
(2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone has a molecular weight of 226.08 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dichloro-1-methylcyclopropyl)-(3-fluoroazetidin-1-yl)methanone is sourced from PubChem (CID 130612894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).