2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine

C11H13F4N — CID 105495770

IUPAC2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCC(C)(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F4N/c1-10(12,7-16-2)8-3-5-9(6-4-8)11(13,14)15/h3-6,16H,7H2,1-2H3
InChIKeyOIEZQNLHLKOIOO-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.11
Rot. Bonds3

About 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine

2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine (PubChem CID 105495770) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine.

Molecular Properties

Compound Name2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
PubChem CID105495770
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine
SMILESCNCC(C)(F)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F4N/c1-10(12,7-16-2)8-3-5-9(6-4-8)11(13,14)15/h3-6,16H,7H2,1-2H3
InChIKeyOIEZQNLHLKOIOO-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,4-dimethoxyphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424304
2-(3-chloro-4-propan-2-ylphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424771
5-[2-fluoro-1-(methylamino)propan-2-yl]-2-methoxyphenol
CID 105425995
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
2-(3-chloro-4-propylphenyl)-2-fluoro-N-methylpropan-1-amine
CID 105424649
2,2-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]propan-1-amine
CID 61166216
1,4-bis(trifluoromethyl)benzene;1,1,1,3,3-pentafluorobutane
CID 174165148
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965
3-fluoro-N-methyl-3-phenylbutan-1-amine
CID 105439612
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The IUPAC name of 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine (CID 105495770) is 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine.
What is the SMILES notation for 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The canonical SMILES for 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine is CNCC(C)(F)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
The InChIKey is OIEZQNLHLKOIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-10(12,7-16-2)8-3-5-9(6-4-8)11(13,14)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine?
2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine has a molecular weight of 235.22 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-2-[4-(trifluoromethyl)phenyl]propan-1-amine is sourced from PubChem (CID 105495770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).