1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine

C13H16Cl2F3N — CID 107308478

IUPAC1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC(F)(F)F
InChIInChI=1S/C13H16Cl2F3N/c1-2-6-19-10(8-13(16,17)18)7-9-4-3-5-11(14)12(9)15/h3-5,10,19H,2,6-8H2,1H3
InChIKeyVNQDFJIXZFEHJA-UHFFFAOYSA-N
MW314.18 g/mol
LogP4.86
Rot. Bonds6

About 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine

1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (PubChem CID 107308478) has the molecular formula C13H16Cl2F3N and a molecular weight of 314.18 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
PubChem CID107308478
Molecular FormulaC13H16Cl2F3N
Molecular Weight314.18 g/mol
Exact Mass313.06
IUPAC Name1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)CC(F)(F)F
InChIInChI=1S/C13H16Cl2F3N/c1-2-6-19-10(8-13(16,17)18)7-9-4-3-5-11(14)12(9)15/h3-5,10,19H,2,6-8H2,1H3
InChIKeyVNQDFJIXZFEHJA-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.18
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-N-propylbutan-2-amine
CID 107308434
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
1-(2-chloro-6-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 61495709
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
1-(4-chloro-2-fluorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 114855376
4,4,4-trifluoro-1-(2-fluoro-3-methoxyphenyl)-N-propylbutan-2-amine
CID 104793850
1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
1-(2,3-dichlorophenyl)-N-ethyl-3-methylsulfanylpropan-2-amine
CID 107308560
1-(2-chloro-3-fluorophenyl)-4-methyl-N-propylpentan-2-amine
CID 112653600
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine (CID 107308478) is 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is CCCNC(Cc1cccc(Cl)c1Cl)CC(F)(F)F.
What is the InChIKey of 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
The InChIKey is VNQDFJIXZFEHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2F3N/c1-2-6-19-10(8-13(16,17)18)7-9-4-3-5-11(14)12(9)15/h3-5,10,19H,2,6-8H2,1H3.
What are the key properties of 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine?
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine has a molecular weight of 314.18 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine is sourced from PubChem (CID 107308478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).