1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine

C11H12ClF2N — CID 115038563

IUPAC1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
SMILESNC1(c2cccc(Cl)c2)CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2
InChIKeyKJLDYXFXMZSMRE-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.31
Rot. Bonds1

About 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine

1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine (PubChem CID 115038563) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
PubChem CID115038563
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC Name1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine
SMILESNC1(c2cccc(Cl)c2)CCC(F)(F)C1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2
InChIKeyKJLDYXFXMZSMRE-UHFFFAOYSA-N
XLogP3.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.67
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3,3-difluorocyclobutan-1-amine
CID 105471866
1-(3-bromophenyl)-3,3-difluorocyclopentan-1-amine
CID 115051018
1-(3-chlorophenyl)-3-fluoro-3-methylcyclobutan-1-amine
CID 115028526
5-(3-chlorophenyl)spiro[2.3]hexan-5-amine
CID 65008597
1-[3-(3-chlorophenyl)phenyl]cyclopropan-1-amine;hydrochloride
CID 167713457
4-amino-4-(3-chlorophenyl)cyclohexan-1-one
CID 115034262
3-chlorobenzonitrile;1-(3-chlorophenyl)cyclopropan-1-amine;hydrochloride
CID 159605665
1-(3-chlorophenyl)-3,3-difluorocyclobutane-1-carbaldehyde
CID 105488735
1-chloro-3-(1-methylcyclopropyl)benzene;ethane
CID 171088326
1-(3-chlorophenyl)-3,3-difluoro-N-methylcyclobutan-1-amine
CID 105490327
1-chloro-3-[1-(difluoromethyl)cyclopropyl]benzene
CID 84721508
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclopentan-1-amine
CID 80705627

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine?
The IUPAC name of 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine (CID 115038563) is 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine is NC1(c2cccc(Cl)c2)CCC(F)(F)C1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine?
The InChIKey is KJLDYXFXMZSMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-9-3-1-2-8(6-9)10(15)4-5-11(13,14)7-10/h1-3,6H,4-5,7,15H2.
What are the key properties of 1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine?
1-(3-chlorophenyl)-3,3-difluorocyclopentan-1-amine has a molecular weight of 231.67 g/mol, XLogP of 3.31, 1 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-difluorocyclopentan-1-amine is sourced from PubChem (CID 115038563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).