1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine

C12H14ClF4N — CID 115516717

IUPAC1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClF4N/c1-18-11(3-2-6-12(15,16)17)8-4-5-10(14)9(13)7-8/h4-5,7,11,18H,2-3,6H2,1H3
InChIKeyCAHASQFPQANMEH-UHFFFAOYSA-N
MW283.70 g/mol
LogP4.47
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine

1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine (PubChem CID 115516717) has the molecular formula C12H14ClF4N and a molecular weight of 283.70 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
PubChem CID115516717
Molecular FormulaC12H14ClF4N
Molecular Weight283.70 g/mol
Exact Mass283.08
IUPAC Name1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
SMILESCNC(CCCC(F)(F)F)c1ccc(F)c(Cl)c1
InChIInChI=1S/C12H14ClF4N/c1-18-11(3-2-6-12(15,16)17)8-4-5-10(14)9(13)7-8/h4-5,7,11,18H,2-3,6H2,1H3
InChIKeyCAHASQFPQANMEH-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chloro-4-fluorophenyl)-N-methylnonan-1-amine
CID 63418571
1-(3-chloro-5-methylphenyl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105024334
1-(3-chloro-4-fluorophenyl)-N-methyl-3-methylsulfonylpropan-1-amine
CID 55182167
[1-(4-chloro-3-fluorophenyl)-5,5,5-trifluoropentyl]hydrazine
CID 107997242
1-(3-chloro-4-fluorophenyl)-N,3-dimethylbutan-1-amine
CID 63094690
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5,5-trifluoro-N-methylpentan-1-amine
CID 105023810
1-(3-chloro-4-fluorophenyl)-2-(2,6-dichlorophenyl)-N-methylethanamine
CID 63418484
[1-(3-chloro-4-fluorophenyl)-4,4-dimethylpentyl]hydrazine
CID 105218176
1-(3-chloro-4-fluorophenyl)-2-(3,5-difluorophenyl)-N-methylethanamine
CID 105406135
5,5,5-trifluoro-N-methyl-1-pyridin-3-ylpentan-1-amine
CID 115516357
5,5,5-trifluoro-N-methyl-1-(3-propan-2-yloxyphenyl)pentan-1-amine
CID 105024061
5,5,5-trifluoro-N-methyl-1-(5-methylfuran-3-yl)pentan-1-amine
CID 105023879

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine (CID 115516717) is 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine is CNC(CCCC(F)(F)F)c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
The InChIKey is CAHASQFPQANMEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF4N/c1-18-11(3-2-6-12(15,16)17)8-4-5-10(14)9(13)7-8/h4-5,7,11,18H,2-3,6H2,1H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine?
1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine has a molecular weight of 283.70 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-5,5,5-trifluoro-N-methylpentan-1-amine is sourced from PubChem (CID 115516717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).