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

C11H13F4N — CID 105495799

IUPAC1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(C)C(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16-2)10(12)8-4-3-5-9(6-8)11(13,14)15/h3-7,10,16H,1-2H3
InChIKeyATAFPEXFZLXXAM-UHFFFAOYSA-N
MW235.22 g/mol
LogP3.32
Rot. Bonds3

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

1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (PubChem CID 105495799) has the molecular formula C11H13F4N and a molecular weight of 235.22 g/mol. Its IUPAC name is 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
PubChem CID105495799
Molecular FormulaC11H13F4N
Molecular Weight235.22 g/mol
Exact Mass235.10
IUPAC Name1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
SMILESCNC(C)C(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F4N/c1-7(16-2)10(12)8-4-3-5-9(6-8)11(13,14)15/h3-7,10,16H,1-2H3
InChIKeyATAFPEXFZLXXAM-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 59154430
N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 14342384
2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80605581
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532
[5-methyl-1-[3-(trifluoromethyl)phenyl]hexyl]hydrazine
CID 105193980
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
N-(2,2,2-trifluoroethoxy)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 82710637
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
1-(1-chloropropan-2-yl)-3-(trifluoromethyl)benzene
CID 12697049

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The IUPAC name of 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine (CID 105495799) is 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine.
What is the SMILES notation for 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The canonical SMILES for 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is CNC(C)C(F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
The InChIKey is ATAFPEXFZLXXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F4N/c1-7(16-2)10(12)8-4-3-5-9(6-8)11(13,14)15/h3-7,10,16H,1-2H3.
What are the key properties of 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine?
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine has a molecular weight of 235.22 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine is sourced from PubChem (CID 105495799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).