2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

C15H12Cl2F3N — CID 65467800

IUPAC2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESFC(F)(F)CC(Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2F3N/c16-11-7-4-8-12(17)14(11)21-13(9-15(18,19)20)10-5-2-1-3-6-10/h1-8,13,21H,9H2
InChIKeyJZAOESLRLBSYMT-UHFFFAOYSA-N
MW334.17 g/mol
LogP6.10
Rot. Bonds4

About 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline

2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (PubChem CID 65467800) has the molecular formula C15H12Cl2F3N and a molecular weight of 334.17 g/mol. Its IUPAC name is 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
PubChem CID65467800
Molecular FormulaC15H12Cl2F3N
Molecular Weight334.17 g/mol
Exact Mass333.03
IUPAC Name2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
SMILESFC(F)(F)CC(Nc1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H12Cl2F3N/c16-11-7-4-8-12(17)14(11)21-13(9-15(18,19)20)10-5-2-1-3-6-10/h1-8,13,21H,9H2
InChIKeyJZAOESLRLBSYMT-UHFFFAOYSA-N
XLogP6.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.17
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-dichloro-N-(1-phenylethyl)aniline
CID 65467797
2-chloro-4-fluoro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43774052
3,3,3-trifluoro-1-phenyl-N-(1-phenylethyl)propan-1-amine
CID 43755979
4-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43765835
3-ethynyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43755559
N-ethyl-3,3,3-trifluoro-1-phenylpropan-1-amine
CID 43489138
3,3,3-trifluoro-1-phenyl-N-prop-2-ynylpropan-1-amine
CID 43755356
4-[(3,3,3-trifluoro-1-phenylpropyl)amino]benzonitrile
CID 43763822
2,6-dichloro-4-fluoro-N-(1-phenylpropyl)aniline
CID 83078056
2-fluoro-5-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43772833
4-fluoro-2-methyl-N-(3,3,3-trifluoro-1-phenylpropyl)aniline
CID 43764950
2,6-dichloro-4-fluoro-N-(1-phenylbutyl)aniline
CID 83076818

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The IUPAC name of 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline (CID 65467800) is 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is FC(F)(F)CC(Nc1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
The InChIKey is JZAOESLRLBSYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F3N/c16-11-7-4-8-12(17)14(11)21-13(9-15(18,19)20)10-5-2-1-3-6-10/h1-8,13,21H,9H2.
What are the key properties of 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline?
2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline has a molecular weight of 334.17 g/mol, XLogP of 6.10, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(3,3,3-trifluoro-1-phenylpropyl)aniline is sourced from PubChem (CID 65467800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).