2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine

C10H11F4N — CID 115257984

IUPAC2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(Cc1cccc(F)c1)CC(F)(F)F
InChIInChI=1S/C10H11F4N/c1-15(7-10(12,13)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyHILJYEDAUKQGJI-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.82
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine

2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine (PubChem CID 115257984) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
PubChem CID115257984
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
SMILESCN(Cc1cccc(F)c1)CC(F)(F)F
InChIInChI=1S/C10H11F4N/c1-15(7-10(12,13)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3
InChIKeyHILJYEDAUKQGJI-UHFFFAOYSA-N
XLogP2.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-fluorophenyl)methyl-methylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78894496
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CID 62271084
4-[(3-fluorophenyl)methyl-methylamino]-3,3-dimethylbutan-2-ol
CID 66454766
3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]benzenecarbothioamide
CID 60891189
N-ethyl-N'-[(3-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 62263625
2-chloro-N-[(3-fluorophenyl)methyl]-N-methylethanamine
CID 61286506
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-2-piperazin-1-ylpropan-1-amine
CID 80551034
[5-fluoro-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]boronic acid
CID 54970873
[3-[[(3-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methanamine
CID 62894998
9-[(3-fluorophenyl)methyl-methylamino]nonane-1-thiol
CID 105344035
2-amino-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenol
CID 60890972
1-(bromomethyl)-3-fluorobenzene;ethane
CID 90998374

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine (CID 115257984) is 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine is CN(Cc1cccc(F)c1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
The InChIKey is HILJYEDAUKQGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-15(7-10(12,13)14)6-8-3-2-4-9(11)5-8/h2-5H,6-7H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine?
2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine has a molecular weight of 221.20 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3-fluorophenyl)methyl]-N-methylethanamine is sourced from PubChem (CID 115257984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).