1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine

C11H12ClF2N — CID 105490327

IUPAC1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
SMILESCNC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c1-15-10(6-11(13,14)7-10)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3
InChIKeyLESGAEMIYVQUFJ-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.18
Rot. Bonds2

About 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine

1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine (PubChem CID 105490327) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
PubChem CID105490327
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
SMILESCNC1(c2cccc(Cl)c2)CC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c1-15-10(6-11(13,14)7-10)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3
InChIKeyLESGAEMIYVQUFJ-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
CID 105490325
1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
CID 105488735
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
CID 115038563
1-[3-(2,5-dichlorophenyl)phenyl]-N-methylcyclopropan-1-amine
CID 172875891
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
N-[1-(3-chlorophenyl)cyclopropyl]cyclopentanamine
CID 115901876
N-[1-(3-chlorophenyl)cyclopropyl]piperidine-4-carboxamide
CID 110462274

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine (CID 105490327) is 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine is CNC1(c2cccc(Cl)c2)CC(F)(F)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine?
The InChIKey is LESGAEMIYVQUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c1-15-10(6-11(13,14)7-10)8-3-2-4-9(12)5-8/h2-5,15H,6-7H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine?
1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine is sourced from PubChem (CID 105490327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).