1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine

C13H16ClF4N — CID 61495709

IUPAC1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(F)(F)F
InChIInChI=1S/C13H16ClF4N/c1-2-6-19-9(8-13(16,17)18)7-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3
InChIKeyCJSJRQLWAKOORR-UHFFFAOYSA-N
MW297.72 g/mol
LogP4.34
Rot. Bonds6

About 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine

1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 61495709) has the molecular formula C13H16ClF4N and a molecular weight of 297.72 g/mol. Its IUPAC name is 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID61495709
Molecular FormulaC13H16ClF4N
Molecular Weight297.72 g/mol
Exact Mass297.09
IUPAC Name1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1c(F)cccc1Cl)CC(F)(F)F
InChIInChI=1S/C13H16ClF4N/c1-2-6-19-9(8-13(16,17)18)7-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3
InChIKeyCJSJRQLWAKOORR-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-4-methyl-N-propylhexan-2-amine
CID 63419898
1-(2-chloro-6-fluorophenyl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 65131448
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1-(2-chloro-6-fluorophenyl)-N-propylhex-4-yn-2-amine
CID 63022141
1-(2-chloro-6-fluorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 55145614
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
1-(2-chloro-6-fluorophenyl)-3-(1-methoxycyclobutyl)-N-propylpropan-2-amine
CID 103556904
N-[2-(2-chloro-6-fluorophenyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 43494761
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
1-(2,6-dichlorophenyl)-4-methyl-N-propylpentan-2-amine
CID 63412621
1-(2-chloro-6-fluorophenyl)-N-ethylheptan-2-amine
CID 63420252
N-[2-(2-chloro-6-fluorophenyl)-1-(6-methyl-2-pyridinyl)ethyl]propan-1-amine
CID 63556149

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (CID 61495709) is 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(Cc1c(F)cccc1Cl)CC(F)(F)F.
What is the InChIKey of 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is CJSJRQLWAKOORR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF4N/c1-2-6-19-9(8-13(16,17)18)7-10-11(14)4-3-5-12(10)15/h3-5,9,19H,2,6-8H2,1H3.
What are the key properties of 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 297.72 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 61495709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).