(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

C11H14Cl2F3N — CID 171207522

IUPAC(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-2-3-10(16)8-5-4-7(12)6-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1
InChIKeyVUHLGLOSPJKEAX-HNCPQSOCSA-N
MW288.14 g/mol
LogP4.58
Rot. Bonds3

About (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (PubChem CID 171207522) has the molecular formula C11H14Cl2F3N and a molecular weight of 288.14 g/mol. Its IUPAC name is (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
PubChem CID171207522
Molecular FormulaC11H14Cl2F3N
Molecular Weight288.14 g/mol
Exact Mass287.05
IUPAC Name(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F.Cl
InChIInChI=1S/C11H13ClF3N.ClH/c1-2-3-10(16)8-5-4-7(12)6-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1
InChIKeyVUHLGLOSPJKEAX-HNCPQSOCSA-N
XLogP4.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]butane-1,4-diamine;hydrochloride
CID 171227093
(1S)-1-[4-chloro-2-(trifluoromethyl)phenyl]-4-methylpentan-1-amine
CID 171227133
2-amino-2-[4-chloro-2-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 91646208
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1S)-1-(2,4-dichlorophenyl)butan-1-amine;hydrochloride
CID 171232141
ethyl (3S)-3-amino-3-[4-chloro-2-(trifluoromethyl)phenyl]propanoate;hydrochloride
CID 171227139
4-chloro-1-pentan-3-yl-2-(trifluoromethyl)benzene
CID 146382696
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171242193
2-(1-aminobutyl)-5-chlorophenol
CID 55271599
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171228674
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 171242192

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (CID 171207522) is (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(Cl)cc1C(F)(F)F.Cl.
What is the InChIKey of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The InChIKey is VUHLGLOSPJKEAX-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13ClF3N.ClH/c1-2-3-10(16)8-5-4-7(12)6-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
(1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride has a molecular weight of 288.14 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-chloro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 171207522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).