3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine

C12H14Cl2F3N — CID 107312354

IUPAC3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C12H14Cl2F3N/c1-2-6-18-10(12(15,16)17)7-8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3
InChIKeyAXYSIUZQPJULSZ-UHFFFAOYSA-N
MW300.15 g/mol
LogP4.47
Rot. Bonds5

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

3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine (PubChem CID 107312354) has the molecular formula C12H14Cl2F3N and a molecular weight of 300.15 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
PubChem CID107312354
Molecular FormulaC12H14Cl2F3N
Molecular Weight300.15 g/mol
Exact Mass299.05
IUPAC Name3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
SMILESCCCNC(Cc1cccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C12H14Cl2F3N/c1-2-6-18-10(12(15,16)17)7-8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3
InChIKeyAXYSIUZQPJULSZ-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 ≤ 500300.15
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-dichlorophenyl)-3-N,3-N,3-trimethyl-2-N-propylbutane-2,3-diamine
CID 107308776
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
1-(2,3-dichlorophenyl)-3-ethoxy-3-methyl-N-propylbutan-2-amine
CID 107309099
1-(2,3-dichlorophenyl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 107308478
1,1,1-trifluoro-3-(2-fluorophenyl)-N-propylpropan-2-amine
CID 66466100
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
1-(2-chlorophenyl)-3,3-dimethyl-N-propylpentan-2-amine
CID 63529109
1-tert-butylsulfanyl-3-(2,3-dichlorophenyl)-N-propylpropan-2-amine
CID 107308668
N-[2-(2,3-dichlorophenyl)-1-pyrimidin-2-ylethyl]propan-1-amine
CID 107308457
1-(2,3-dichlorophenyl)-4-methyl-N-propylhexan-2-amine
CID 107312099
N-[2-(2,3-dichlorophenyl)-1-(2-methylphenyl)ethyl]propan-1-amine
CID 107308428

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The IUPAC name of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine (CID 107312354) is 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The canonical SMILES for 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine is CCCNC(Cc1cccc(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
The InChIKey is AXYSIUZQPJULSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2F3N/c1-2-6-18-10(12(15,16)17)7-8-4-3-5-9(13)11(8)14/h3-5,10,18H,2,6-7H2,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine?
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine has a molecular weight of 300.15 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 3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine is sourced from PubChem (CID 107312354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).