1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine

C13H17ClF3N — CID 64566182

IUPAC1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3N/c1-2-9-18-12(7-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyROOBGJNWOUHTRK-UHFFFAOYSA-N
MW279.73 g/mol
LogP4.72
Rot. Bonds6

About 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine

1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine (PubChem CID 64566182) has the molecular formula C13H17ClF3N and a molecular weight of 279.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
PubChem CID64566182
Molecular FormulaC13H17ClF3N
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccc(Cl)cc1
InChIInChI=1S/C13H17ClF3N/c1-2-9-18-12(7-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3
InChIKeyROOBGJNWOUHTRK-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4,4,4-trifluoro-1-(4-methylphenyl)-N-propylbutan-1-amine
CID 64565776
N-[1-(4-chlorophenyl)propyl]-3,3,3-trifluoropropan-1-amine
CID 55175519
4,4,4-trifluoro-1-(4-fluoro-3-methylphenyl)-N-propylbutan-1-amine
CID 64565153
3-(4-chlorophenyl)-3-(propylamino)propan-1-ol
CID 64813025
1-(4-bromo-3-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 104992611
1-(4-chlorophenyl)-N-propyloctan-1-amine
CID 43494757
1-(4-chloro-3-methylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 105024069
1-(3,5-dimethylphenyl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79954110
4,4-dimethyl-N-propyl-1-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 115849836
1-(4-ethylsulfanylphenyl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 106849254
N'-[1-(4-chlorophenyl)butyl]ethane-1,2-diamine
CID 60888732
1-(4-chlorophenyl)-2,2,3,3-tetrafluoro-N-propylpropan-1-amine
CID 79660522

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine (CID 64566182) is 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
The InChIKey is ROOBGJNWOUHTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N/c1-2-9-18-12(7-8-13(15,16)17)10-3-5-11(14)6-4-10/h3-6,12,18H,2,7-9H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine?
1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine has a molecular weight of 279.73 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-4,4,4-trifluoro-N-propylbutan-1-amine is sourced from PubChem (CID 64566182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).