3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine

C11H12Cl2F3N — CID 82534769

IUPAC3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Cc1cccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c12-9-3-1-2-7(10(9)13)6-8(4-5-17)11(14,15)16/h1-3,8H,4-6,17H2
InChIKeyKPLDUMSTBVXOMX-UHFFFAOYSA-N
MW286.12 g/mol
LogP4.06
Rot. Bonds4

About 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine

3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine (PubChem CID 82534769) has the molecular formula C11H12Cl2F3N and a molecular weight of 286.12 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
PubChem CID82534769
Molecular FormulaC11H12Cl2F3N
Molecular Weight286.12 g/mol
Exact Mass285.03
IUPAC Name3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
SMILESNCCC(Cc1cccc(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C11H12Cl2F3N/c12-9-3-1-2-7(10(9)13)6-8(4-5-17)11(14,15)16/h1-3,8H,4-6,17H2
InChIKeyKPLDUMSTBVXOMX-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,6-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine
CID 82534770
4-(2,3-dichlorophenyl)-3-methylbutan-1-amine
CID 83924705
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 82534938
2-[(2,3-dichlorophenyl)methyl]-3-(2-fluorophenyl)propan-1-amine
CID 107309627
1-(2,3-dichlorophenyl)-3-(2,3-difluorophenyl)propan-2-amine
CID 107311717
2-[(2-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309628
3-(2,3-dichlorophenyl)-1,1,1-trifluoro-N-propylpropan-2-amine
CID 107312354
(2R)-2-(aminomethyl)-3-(2,3-dichlorophenyl)propan-1-ol
CID 95001596
1-(2,3-dichlorophenyl)pentan-2-amine
CID 84752925
2-[(4-chlorophenyl)methyl]-3-(2,3-dichlorophenyl)propan-1-amine
CID 107309618
4-(2,3-dichlorophenyl)-3-fluoro-2-propan-2-ylbutan-1-amine
CID 107443749
1-(4-chloro-3-fluorophenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107996136

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine (CID 82534769) is 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine is NCCC(Cc1cccc(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
The InChIKey is KPLDUMSTBVXOMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2F3N/c12-9-3-1-2-7(10(9)13)6-8(4-5-17)11(14,15)16/h1-3,8H,4-6,17H2.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine?
3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine has a molecular weight of 286.12 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 82534769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).