3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine

C9H8Cl2F3N — CID 115862976

IUPAC3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3N/c10-6-1-2-7(11)5(3-6)4-8(15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyCALKDCSBWLHZPH-UHFFFAOYSA-N
MW258.07 g/mol
LogP3.43
Rot. Bonds2

About 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine

3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine (PubChem CID 115862976) has the molecular formula C9H8Cl2F3N and a molecular weight of 258.07 g/mol. Its IUPAC name is 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
PubChem CID115862976
Molecular FormulaC9H8Cl2F3N
Molecular Weight258.07 g/mol
Exact Mass257.00
IUPAC Name3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine
SMILESNC(Cc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H8Cl2F3N/c10-6-1-2-7(11)5(3-6)4-8(15)9(12,13)14/h1-3,8H,4,15H2
InChIKeyCALKDCSBWLHZPH-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-dichlorophenyl)-3-ethyl-3-methoxypentan-2-amine
CID 116760652
1-(5-chloro-2-fluorophenyl)-2-(2,5-dichlorophenyl)ethanamine
CID 114885921
4-(2,5-dichlorophenyl)-3-methylbutan-2-amine
CID 65316880
1-(2,5-dichlorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-amine
CID 79056042
[1-(2,5-dichlorophenyl)-4,4,4-trifluorobutan-2-yl]hydrazine
CID 105206142
1-(2,5-dichlorophenyl)-4,4,4-trifluoro-N-methyl-3-(trifluoromethyl)butan-2-amine
CID 103311982
1-(2,5-dichlorophenyl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724247
[1-(2,5-dichlorophenyl)-3,3-dimethylpentan-2-yl]hydrazine
CID 105309938
2-(2,5-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 65321175
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
4-(4-chloro-2-fluorophenyl)-1,1,1-trifluorobutan-2-amine;hydrochloride
CID 117046792
1-(2,5-dichlorophenyl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 65321380

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine (CID 115862976) is 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine is NC(Cc1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine?
The InChIKey is CALKDCSBWLHZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2F3N/c10-6-1-2-7(11)5(3-6)4-8(15)9(12,13)14/h1-3,8H,4,15H2.
What are the key properties of 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine?
3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine has a molecular weight of 258.07 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenyl)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 115862976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).