(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine

C9H8Cl2F3N — CID 103693902

IUPAC(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2F3N/c10-6-3-1-2-5(8(6)11)7(15)4-9(12,13)14/h1-3,7H,4,15H2/t7-/m0/s1
InChIKeyYDCTUKUWBRBXOA-ZETCQYMHSA-N
MW258.07 g/mol
LogP3.95
Rot. Bonds2

About (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine

(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine (PubChem CID 103693902) has the molecular formula C9H8Cl2F3N and a molecular weight of 258.07 g/mol. Its IUPAC name is (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine.

Molecular Properties

Compound Name(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
PubChem CID103693902
Molecular FormulaC9H8Cl2F3N
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Name(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H8Cl2F3N/c10-6-3-1-2-5(8(6)11)7(15)4-9(12,13)14/h1-3,7H,4,15H2/t7-/m0/s1
InChIKeyYDCTUKUWBRBXOA-ZETCQYMHSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.07
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(2,3-dichlorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171224120
(1R)-1-(2,6-dichlorophenyl)-3,3,3-trifluoropropan-1-amine;hydrochloride
CID 171197929
(1R)-1-(2,3-dichlorophenyl)propane-1,3-diamine;hydrochloride
CID 171204529
3,3,3-trifluoro-1-naphthalen-1-ylpropan-1-amine
CID 62790893
1-(2,3-dichlorophenyl)but-3-yn-1-amine
CID 87596872
(1S)-1-(2,3-dichlorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311628
1-(2,3-dichlorophenyl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 55115861
(2,3-dichlorophenyl)methanediamine
CID 139660481
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(1R)-3,3,3-trifluoro-1-(2-fluorophenyl)propan-1-amine
CID 103693865
3-amino-3-(2,3-dichlorophenyl)propanal
CID 123893980
1-(2,3-dimethylphenyl)-3,3,3-trifluoropropan-1-amine
CID 62548875

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine?
The IUPAC name of (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine (CID 103693902) is (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine.
What is the SMILES notation for (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine?
The canonical SMILES for (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine is N[C@@H](CC(F)(F)F)c1cccc(Cl)c1Cl.
What is the InChIKey of (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine?
The InChIKey is YDCTUKUWBRBXOA-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H8Cl2F3N/c10-6-3-1-2-5(8(6)11)7(15)4-9(12,13)14/h1-3,7H,4,15H2/t7-/m0/s1.
What are the key properties of (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine?
(1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine has a molecular weight of 258.07 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,3-dichlorophenyl)-3,3,3-trifluoropropan-1-amine is sourced from PubChem (CID 103693902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).