(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

C11H14ClF4N — CID 171228674

IUPAC(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1cc(F)ccc1C(F)(F)F.Cl
InChIInChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-6-7(12)4-5-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m0./s1
InChIKeyASJANIDOYNQCHY-PPHPATTJSA-N
MW271.69 g/mol
LogP4.07
Rot. Bonds3

About (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride

(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (PubChem CID 171228674) has the molecular formula C11H14ClF4N and a molecular weight of 271.69 g/mol. Its IUPAC name is (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
PubChem CID171228674
Molecular FormulaC11H14ClF4N
Molecular Weight271.69 g/mol
Exact Mass271.08
IUPAC Name(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
SMILESCCC[C@H](N)c1cc(F)ccc1C(F)(F)F.Cl
InChIInChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-6-7(12)4-5-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m0./s1
InChIKeyASJANIDOYNQCHY-PPHPATTJSA-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-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021281
1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79016521
(1R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine
CID 79021125
(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171228670
3-ethyl-1-[5-fluoro-2-(trifluoromethyl)phenyl]pentan-1-amine
CID 82923278
(1S)-3,3-difluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313161
2-[(1S)-1-aminobutyl]-4-fluorophenol;hydrochloride
CID 162344095
2-[(1S)-1-aminobutyl]-4-fluoroaniline
CID 130859699
1-(2-ethyl-5-fluorophenyl)butan-1-amine
CID 55268868
(1S)-1-(4-fluoro-2-methylphenyl)butan-1-amine;hydrochloride
CID 171221352
1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 83988354
(1S)-1-(2-bromo-5-fluorophenyl)butan-1-amine
CID 103694433

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride (CID 171228674) is (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is CCC[C@H](N)c1cc(F)ccc1C(F)(F)F.Cl.
What is the InChIKey of (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
The InChIKey is ASJANIDOYNQCHY-PPHPATTJSA-N. The full InChI is InChI=1S/C11H13F4N.ClH/c1-2-3-10(16)8-6-7(12)4-5-9(8)11(13,14)15;/h4-6,10H,2-3,16H2,1H3;1H/t10-;/m0./s1.
What are the key properties of (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride?
(1S)-1-[5-fluoro-2-(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 (1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride is sourced from PubChem (CID 171228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).