3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine

C11H13F4N — CID 105495790

IUPAC3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)C(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16)10(12)6-8-3-2-4-9(5-8)11(13,14)15/h2-5,7,10H,6,16H2,1H3
InChIKeyZJNHKGWIUVRAIB-UHFFFAOYSA-N
MW235.22 g/mol
LogP2.93
Rot. Bonds3

About 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine

3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine (PubChem CID 105495790) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine.

Molecular Properties

Compound Name3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
PubChem CID105495790
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine
SMILESCC(N)C(F)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16)10(12)6-8-3-2-4-9(5-8)11(13,14)15/h2-5,7,10H,6,16H2,1H3
InChIKeyZJNHKGWIUVRAIB-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

carbonic acid;(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 118040884
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 55095731
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
[3,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105293250
1-(2-methylcyclopropyl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65422341
1-tert-butylsulfanyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65132993
1-[3-(2-aminopropan-2-yl)phenyl]propan-2-amine
CID 69374582
(2R)-2-fluoro-3-[3-(trifluoromethyl)phenyl]propanal
CID 70677220

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The IUPAC name of 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine (CID 105495790) is 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine.
What is the SMILES notation for 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The canonical SMILES for 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine is CC(N)C(F)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
The InChIKey is ZJNHKGWIUVRAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-7(16)10(12)6-8-3-2-4-9(5-8)11(13,14)15/h2-5,7,10H,6,16H2,1H3.
What are the key properties of 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine?
3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine has a molecular weight of 235.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[3-(trifluoromethyl)phenyl]butan-2-amine is sourced from PubChem (CID 105495790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).