N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine

C11H13ClF3N — CID 103759856

IUPACN-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C11H13ClF3N/c1-2-5-16-10(11(14)15)8-4-3-7(12)6-9(8)13/h3-4,6,10-11,16H,2,5H2,1H3
InChIKeyFDNIPGLQIHZKGO-UHFFFAOYSA-N
MW251.68 g/mol
LogP3.78
Rot. Bonds5

About N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine

N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 103759856) has the molecular formula C11H13ClF3N and a molecular weight of 251.68 g/mol. Its IUPAC name is N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
PubChem CID103759856
Molecular FormulaC11H13ClF3N
Molecular Weight251.68 g/mol
Exact Mass251.07
IUPAC NameN-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(c1ccc(Cl)cc1F)C(F)F
InChIInChI=1S/C11H13ClF3N/c1-2-5-16-10(11(14)15)8-4-3-7(12)6-9(8)13/h3-4,6,10-11,16H,2,5H2,1H3
InChIKeyFDNIPGLQIHZKGO-UHFFFAOYSA-N
XLogP3.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2,2-difluoro-1-(2-fluoro-4-methoxyphenyl)ethyl]propan-1-amine
CID 113260289
N-[(4-chloro-2-fluorophenyl)-(5-chloro-2-methylphenyl)methyl]propan-1-amine
CID 105022481
1-(4-chloro-2-fluorophenyl)-2-ethoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116725980
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-(4-chloro-2-fluorophenyl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177275
N-[(4-chloro-2-fluorophenyl)-(4-fluorophenyl)methyl]propan-1-amine
CID 43494667
N-[(4-chloro-2-fluorophenyl)-(2,6-dimethyl-3-pyridinyl)methyl]propan-1-amine
CID 105173619
1-(4-chloro-2-fluorophenyl)-N-propylbut-3-en-1-amine
CID 63081783
N-[(4-chloro-2-fluorophenyl)-(2,5-dimethylthiophen-3-yl)methyl]propan-1-amine
CID 43496871
N-[(4-chloro-2-fluorophenyl)-(3-chloro-4-pyridinyl)methyl]propan-1-amine
CID 105173716
1-(4-chloro-2-fluorophenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63418611
1-(4-chloro-2-fluorophenyl)-3-methoxy-3-methyl-N-propylbutan-1-amine
CID 103028737

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine (CID 103759856) is N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine is CCCNC(c1ccc(Cl)cc1F)C(F)F.
What is the InChIKey of N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is FDNIPGLQIHZKGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N/c1-2-5-16-10(11(14)15)8-4-3-7(12)6-9(8)13/h3-4,6,10-11,16H,2,5H2,1H3.
What are the key properties of N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 251.68 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 103759856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).