4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine

C12H15F4N — CID 83808880

IUPAC4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H15F4N/c1-11(2,17)6-5-8-7-9(12(14,15)16)3-4-10(8)13/h3-4,7H,5-6,17H2,1-2H3
InChIKeyHXMYUMPFPPZYPB-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.51
Rot. Bonds3

About 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine

4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine (PubChem CID 83808880) has the molecular formula C12H15F4N and a molecular weight of 249.25 g/mol. Its IUPAC name is 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
PubChem CID83808880
Molecular FormulaC12H15F4N
Molecular Weight249.25 g/mol
Exact Mass249.11
IUPAC Name4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine
SMILESCC(C)(N)CCc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H15F4N/c1-11(2,17)6-5-8-7-9(12(14,15)16)3-4-10(8)13/h3-4,7H,5-6,17H2,1-2H3
InChIKeyHXMYUMPFPPZYPB-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,3-dimethylbutyl)-1-fluoro-4-(trifluoromethyl)benzene
CID 129147241
3-[2-fluoro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 53434374
2-[2-fluoro-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 83808287
2-[2-fluoro-5-(trifluoromethyl)phenyl]ethylhydrazine
CID 53402567
1-fluoro-2-(iodomethyl)-4-(trifluoromethyl)benzene
CID 162566787
N-fluoro-1-[2-fluoro-5-(trifluoromethyl)phenyl]methanamine
CID 143092544
3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanoic acid
CID 83402778
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]aniline
CID 79032953
4-[2-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl]-2-methylbutan-2-amine
CID 141197585
(2R)-2-amino-2-[4-fluoro-3-(hydroxymethyl)phenyl]propan-1-ol
CID 55271791
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
1-[2-bromo-4-(trifluoromethyl)phenyl]-2-methylpropan-2-amine
CID 117112045

Frequently Asked Questions

What is the IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine?
The IUPAC name of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine (CID 83808880) is 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine.
What is the SMILES notation for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine?
The canonical SMILES for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine is CC(C)(N)CCc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine?
The InChIKey is HXMYUMPFPPZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F4N/c1-11(2,17)6-5-8-7-9(12(14,15)16)3-4-10(8)13/h3-4,7H,5-6,17H2,1-2H3.
What are the key properties of 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine?
4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine has a molecular weight of 249.25 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-fluoro-5-(trifluoromethyl)phenyl]-2-methylbutan-2-amine is sourced from PubChem (CID 83808880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).