(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

C9H8Cl2F5N — CID 171228766

IUPAC(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C9H7ClF5N.ClH/c10-6-2-4(9(13,14)15)1-5(8(6)12)7(16)3-11;/h1-2,7H,3,16H2;1H/t7-;/m0./s1
InChIKeyRZGLTEKTIUSZSE-FJXQXJEOSA-N
MW296.07 g/mol
LogP3.89
Rot. Bonds2

About (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride

(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (PubChem CID 171228766) has the molecular formula C9H8Cl2F5N and a molecular weight of 296.07 g/mol. Its IUPAC name is (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
PubChem CID171228766
Molecular FormulaC9H8Cl2F5N
Molecular Weight296.07 g/mol
Exact Mass295.00
IUPAC Name(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1cc(C(F)(F)F)cc(Cl)c1F
InChIInChI=1S/C9H7ClF5N.ClH/c10-6-2-4(9(13,14)15)1-5(8(6)12)7(16)3-11;/h1-2,7H,3,16H2;1H/t7-;/m0./s1
InChIKeyRZGLTEKTIUSZSE-FJXQXJEOSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.07
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]ethane-1,2-diamine;hydrochloride
CID 171209181
(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313797
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
CID 171313164
(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]pentane-1,5-diamine;hydrochloride
CID 171209187
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171228785
(1S)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512258
ethyl (3R)-3-amino-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]propanoate
CID 171209232
(3S)-3-amino-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoropropan-1-ol
CID 171249463
(1R,2S)-1-amino-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171263890
(1S,2R)-1-amino-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171269583
(S)-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-(oxan-4-yl)methanamine;hydrochloride
CID 171242729
methyl (3S)-3-amino-3-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoate;hydrochloride
CID 171242722

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride (CID 171228766) is (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1cc(C(F)(F)F)cc(Cl)c1F.
What is the InChIKey of (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
The InChIKey is RZGLTEKTIUSZSE-FJXQXJEOSA-N. The full InChI is InChI=1S/C9H7ClF5N.ClH/c10-6-2-4(9(13,14)15)1-5(8(6)12)7(16)3-11;/h1-2,7H,3,16H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride?
(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride has a molecular weight of 296.07 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171228766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).