2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine

C10H10F5N — CID 80605581

IUPAC2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)C(F)F
InChIInChI=1S/C10H10F5N/c1-16-8(9(11)12)6-3-2-4-7(5-6)10(13,14)15/h2-5,8-9,16H,1H3
InChIKeyNGOKSQHHFKWRRA-UHFFFAOYSA-N
MW239.19 g/mol
LogP3.23
Rot. Bonds3

About 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine

2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 80605581) has the molecular formula C10H10F5N and a molecular weight of 239.19 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID80605581
Molecular FormulaC10H10F5N
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCNC(c1cccc(C(F)(F)F)c1)C(F)F
InChIInChI=1S/C10H10F5N/c1-16-8(9(11)12)6-3-2-4-7(5-6)10(13,14)15/h2-5,8-9,16H,1H3
InChIKeyNGOKSQHHFKWRRA-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 53.23
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
CID 56600603
CID 56600603
1-fluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 105495799
N-methyl-4-[3-(trifluoromethyl)phenyl]pentan-2-amine
CID 64718532
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
N-methyl-1-(5-methylfuran-3-yl)-1-[3-(trifluoromethyl)phenyl]methanamine
CID 115850612
1-(3-fluoro-5-methylphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 79697009
1-(4-methoxyphenyl)-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 43481712
1-cycloheptyl-N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
CID 65399168

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 80605581) is 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine is CNC(c1cccc(C(F)(F)F)c1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NGOKSQHHFKWRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N/c1-16-8(9(11)12)6-3-2-4-7(5-6)10(13,14)15/h2-5,8-9,16H,1H3.
What are the key properties of 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine?
2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 239.19 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 80605581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).