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

C11H14ClF4N — CID 171207356

IUPAC(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C(F)(F)F)cc1F.Cl
InChIInChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1
InChIKeyBYANIAKXENZOSP-HNCPQSOCSA-N
MW271.69 g/mol
LogP4.07
Rot. Bonds3

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

(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (PubChem CID 171207356) has the molecular formula C11H14ClF4N and a molecular weight of 271.69 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
PubChem CID171207356
Molecular FormulaC11H14ClF4N
Molecular Weight271.69 g/mol
Exact Mass271.08
IUPAC Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@@H](N)c1ccc(C(F)(F)F)cc1F.Cl
InChIInChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1
InChIKeyBYANIAKXENZOSP-HNCPQSOCSA-N
XLogP4.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 171207355
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171263244
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171226937
2-fluoro-1-hexan-3-yl-4-(trifluoromethyl)benzene
CID 170267047
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171207363
(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313739
(1R)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171226961
ethyl (3R)-3-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoate
CID 171207391
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (CID 171207356) is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is CCC[C@@H](N)c1ccc(C(F)(F)F)cc1F.Cl.
What is the InChIKey of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The InChIKey is BYANIAKXENZOSP-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m1./s1.
What are the key properties of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride has a molecular weight of 271.69 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 171207356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).