3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

C13H14F7N — CID 107288813

IUPAC3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F7N/c1-2-5-21-11(7-12(15,16)17)8-3-4-10(14)9(6-8)13(18,19)20/h3-4,6,11,21H,2,5,7H2,1H3
InChIKeyUXZDVCLXJYLZOH-UHFFFAOYSA-N
MW317.25 g/mol
LogP4.84
Rot. Bonds5

About 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine

3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (PubChem CID 107288813) has the molecular formula C13H14F7N and a molecular weight of 317.25 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
PubChem CID107288813
Molecular FormulaC13H14F7N
Molecular Weight317.25 g/mol
Exact Mass317.10
IUPAC Name3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H14F7N/c1-2-5-21-11(7-12(15,16)17)8-3-4-10(14)9(6-8)13(18,19)20/h3-4,6,11,21H,2,5,7H2,1H3
InChIKeyUXZDVCLXJYLZOH-UHFFFAOYSA-N
XLogP4.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.25
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
N-[2-cyclopropyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]propan-1-amine
CID 104986585
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpent-3-yn-1-amine
CID 115820026
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylprop-2-en-1-amine
CID 105005621
3,3,3-trifluoro-1-(4-propan-2-ylphenyl)-N-propylpropan-1-amine
CID 43625498
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848
N-[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylcyclopropyl)methyl]propan-1-amine
CID 107289047
1-(4-fluoro-3-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 63890244
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
N-[1-(3,4-difluorophenyl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103207376
3,3,3-trifluoro-N-propyl-1-(2,4,5-trifluorophenyl)propan-1-amine
CID 103302818
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 64566182

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine (CID 107288813) is 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
The InChIKey is UXZDVCLXJYLZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F7N/c1-2-5-21-11(7-12(15,16)17)8-3-4-10(14)9(6-8)13(18,19)20/h3-4,6,11,21H,2,5,7H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine?
3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine has a molecular weight of 317.25 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-propylpropan-1-amine is sourced from PubChem (CID 107288813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).