1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

C11H11F6N — CID 66468158

IUPAC1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-18-9(11(15,16)17)6-7-3-2-4-8(5-7)10(12,13)14/h2-5,9,18H,6H2,1H3
InChIKeyZNXGLGAINDDZQJ-UHFFFAOYSA-N
MW271.20 g/mol
LogP3.40
Rot. Bonds3

About 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine

1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 66468158) has the molecular formula C11H11F6N and a molecular weight of 271.20 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID66468158
Molecular FormulaC11H11F6N
Molecular Weight271.20 g/mol
Exact Mass271.08
IUPAC Name1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(Cc1cccc(C(F)(F)F)c1)C(F)(F)F
InChIInChI=1S/C11H11F6N/c1-18-9(11(15,16)17)6-7-3-2-4-8(5-7)10(12,13)14/h2-5,9,18H,6H2,1H3
InChIKeyZNXGLGAINDDZQJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.20
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,3-dimethyl-3-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 115830913
1-(2-bromopropyl)-3-(trifluoromethyl)benzene
CID 14025642
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975
(2S)-1,1,1-trifluoro-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 96706913
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-(4-iodophenyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 115830875
1-(furan-2-yl)-N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 62717333
1-ethylsulfanyl-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 65127657
2,3-dimethyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 81011675
5-methoxy-N-methyl-1-[3-(trifluoromethyl)phenyl]hexan-2-amine
CID 105123547
3,3-dimethyl-N-propyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 115831156
3-methoxy-N,4-dimethyl-1-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 116720086

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 66468158) is 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is CNC(Cc1cccc(C(F)(F)F)c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ZNXGLGAINDDZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F6N/c1-18-9(11(15,16)17)6-7-3-2-4-8(5-7)10(12,13)14/h2-5,9,18H,6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine?
1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 271.20 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-3-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 66468158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).