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

C11H13F4N — CID 171207355

IUPAC(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC[C@@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1
InChIKeyHJMFUSIRHQKMHZ-SNVBAGLBSA-N
MW235.22 g/mol
LogP3.64
Rot. Bonds3

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

(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine (PubChem CID 171207355) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine.

Molecular Properties

Compound Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
PubChem CID171207355
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
SMILESCCC[C@@H](N)c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C11H13F4N/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1
InChIKeyHJMFUSIRHQKMHZ-SNVBAGLBSA-N
XLogP3.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171207356
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentane-1,5-diamine
CID 171226925
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171263244
(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)-1-[2-methoxy-4-(trifluoromethyl)phenyl]butan-1-amine
CID 96710105
ethyl (3R)-3-amino-3-[2-fluoro-4-(trifluoromethyl)phenyl]propanoate
CID 171207391
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313739
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexan-2-ol
CID 171263245

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The IUPAC name of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine (CID 171207355) is (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine.
What is the SMILES notation for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The canonical SMILES for (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine is CCC[C@@H](N)c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
The InChIKey is HJMFUSIRHQKMHZ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13F4N/c1-2-3-10(16)8-5-4-7(6-9(8)12)11(13,14)15/h4-6,10H,2-3,16H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine?
(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.64, 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 is sourced from PubChem (CID 171207355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).