4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine

C11H13F4N — CID 83918946

IUPAC4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCNCCC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-16-7-6-10(11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyCPDSDHZJGBUURU-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.08
Rot. Bonds4

About 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine

4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine (PubChem CID 83918946) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
PubChem CID83918946
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCNCCC(c1ccc(F)cc1)C(F)(F)F
InChIInChI=1S/C11H13F4N/c1-16-7-6-10(11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3
InChIKeyCPDSDHZJGBUURU-UHFFFAOYSA-N
XLogP3.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-N'-methylpropane-1,3-diamine
CID 116932883
1-(4-fluorophenyl)-N,N'-dimethylpropane-1,3-diamine
CID 116948511
1-(4-fluorophenyl)-N'-methylbutane-1,4-diamine
CID 116933824
(3S)-3-(4-fluorophenyl)-N-methyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine;oxalic acid
CID 25016764
N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 18544546
N,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pentan-1-amine
CID 112509139
1-(2,2-dimethylheptan-3-yl)-4-fluorobenzene
CID 21304853
4-[(E)-4-fluorobut-2-enoxy]-3-(4-fluorophenyl)-N-methylpentan-1-amine
CID 142939144
3-(4-fluorophenyl)-3-indol-1-yl-N-methylpropan-1-amine
CID 58088567
3-(4-fluorophenyl)-N,4,4-trimethylpentanamide
CID 82083910
3-(4-fluorophenyl)-4-(methylamino)butan-1-ol
CID 59012185
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine (CID 83918946) is 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine is CNCCC(c1ccc(F)cc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine?
The InChIKey is CPDSDHZJGBUURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-16-7-6-10(11(13,14)15)8-2-4-9(12)5-3-8/h2-5,10,16H,6-7H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine?
4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-(4-fluorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 83918946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).