N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine

C11H12ClF2N — CID 83108213

IUPACN-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)11(13,14)7-15-10-5-6-10/h1-4,10,15H,5-7H2
InChIKeyYHNUZWZHRCXYSM-UHFFFAOYSA-N
MW231.67 g/mol
LogP3.18
Rot. Bonds4

About N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine

N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine (PubChem CID 83108213) has the molecular formula C11H12ClF2N and a molecular weight of 231.67 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine
PubChem CID83108213
Molecular FormulaC11H12ClF2N
Molecular Weight231.67 g/mol
Exact Mass231.06
IUPAC NameN-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine
SMILESFC(F)(CNC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)11(13,14)7-15-10-5-6-10/h1-4,10,15H,5-7H2
InChIKeyYHNUZWZHRCXYSM-UHFFFAOYSA-N
XLogP3.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[2-(3,5-difluorophenyl)-2,2-difluoroethyl]cyclopropanamine
CID 83107512
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,2-difluoroethyl]cyclopropanamine
CID 83108835
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothian-4-amine
CID 116788857
1-(cyclopropylamino)-2-[4-fluoro-3-(trifluoromethyl)phenyl]propan-2-ol
CID 107290618
1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
CID 12634147
N-(2,2-difluoro-2-phenylethyl)-1,1-dioxothiolan-3-amine
CID 116788690
N-[2,3-dimethyl-2-[[4-(trifluoromethyl)phenyl]methyl]butyl]cyclopropanamine
CID 83150966
N-(2,2-difluoro-2-phenylethyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 116789143
1-[(4-chlorophenyl)methyl]-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992190
1-(cyclopropylamino)-2-(2,5-dichlorophenyl)propan-2-ol
CID 62773402
2-(4-chloro-3-methoxyphenyl)-1-(cyclopropylamino)propan-2-ol
CID 79697533
(4-chlorophenyl)-[4-[[2-(4-fluorophenyl)-2-hydroxypropyl]amino]piperidin-1-yl]methanone
CID 167907037

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The IUPAC name of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine (CID 83108213) is N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine is FC(F)(CNC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine?
The InChIKey is YHNUZWZHRCXYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF2N/c12-9-3-1-8(2-4-9)11(13,14)7-15-10-5-6-10/h1-4,10,15H,5-7H2.
What are the key properties of N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine?
N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine has a molecular weight of 231.67 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2,2-difluoroethyl]cyclopropanamine is sourced from PubChem (CID 83108213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).