N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine

C11H13Cl2F2N — CID 102867800

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
SMILESCC(NC(C)C(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2F2N/c1-6(16-7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7,11,16H,1-2H3
InChIKeyFQIXEFUABXPXGL-UHFFFAOYSA-N
MW268.13 g/mol
LogP4.30
Rot. Bonds4

About N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine

N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine (PubChem CID 102867800) has the molecular formula C11H13Cl2F2N and a molecular weight of 268.13 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
PubChem CID102867800
Molecular FormulaC11H13Cl2F2N
Molecular Weight268.13 g/mol
Exact Mass267.04
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine
SMILESCC(NC(C)C(F)F)c1ccc(Cl)cc1Cl
InChIInChI=1S/C11H13Cl2F2N/c1-6(16-7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7,11,16H,1-2H3
InChIKeyFQIXEFUABXPXGL-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.13
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(2,4-dichlorophenyl)ethyl]-3-methylbutan-2-amine
CID 43094066
N-[1-(2,4-dichlorophenyl)ethyl]pentan-3-amine
CID 43104897
N-[1-(2,4-dichlorophenyl)ethyl]hydroxylamine
CID 16740749
N-[1-(2,4-dichlorophenyl)ethyl]-1-(2,4-dimethylphenyl)ethanamine
CID 43105207
N-[1-(3-chlorophenyl)ethyl]-1,1-difluoropropan-2-amine
CID 102867952
N-[1-(2,4-dichlorophenyl)ethyl]-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904235
3,5-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]aniline
CID 43099454
N-[1-(2,4-dichlorophenyl)ethyl]-1-methoxy-3-methylbutan-2-amine
CID 65047890
N-[1-(2,4-dichlorophenyl)ethyl]-1-thiophen-3-ylethanamine
CID 55033046
N-[1-(2,4-dichlorophenyl)ethyl]hex-5-en-2-amine
CID 104655327
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(2,4-dichlorophenyl)propan-1-amine
CID 81374924
1-(2,4-dichlorophenyl)-N-[1-(1H-pyrazol-5-yl)ethyl]ethanamine
CID 54881392

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine (CID 102867800) is N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine is CC(NC(C)C(F)F)c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
The InChIKey is FQIXEFUABXPXGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2F2N/c1-6(16-7(2)11(14)15)9-4-3-8(12)5-10(9)13/h3-7,11,16H,1-2H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine?
N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine has a molecular weight of 268.13 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 102867800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).