1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine

C9H9F4N — CID 80605356

IUPAC1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1c(F)cccc1F)C(F)F
InChIInChI=1S/C9H9F4N/c1-14-8(9(12)13)7-5(10)3-2-4-6(7)11/h2-4,8-9,14H,1H3
InChIKeyXSTFGASTKPQHOF-UHFFFAOYSA-N
MW207.17 g/mol
LogP2.49
Rot. Bonds3

About 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine

1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine (PubChem CID 80605356) has the molecular formula C9H9F4N and a molecular weight of 207.17 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine
PubChem CID80605356
Molecular FormulaC9H9F4N
Molecular Weight207.17 g/mol
Exact Mass207.07
IUPAC Name1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine
SMILESCNC(c1c(F)cccc1F)C(F)F
InChIInChI=1S/C9H9F4N/c1-14-8(9(12)13)7-5(10)3-2-4-6(7)11/h2-4,8-9,14H,1H3
InChIKeyXSTFGASTKPQHOF-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.17
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,6-difluorophenyl)-N-methylbutan-2-amine
CID 66437420
1-(2,6-difluorophenyl)-N,2,2-trimethylbutan-1-amine
CID 115859728
1-(2,6-difluorophenyl)-N-methyl-1-(2,4,6-trifluorophenyl)methanamine
CID 43483206
3-fluoro-2-[(1R)-1-(methylamino)ethyl]aniline
CID 130738450
1-(2-bromo-3-fluorophenyl)-N,2-dimethylpropan-1-amine
CID 114978285
1-(4-chloro-2-fluorophenyl)-2,2-difluoro-N-methylethanamine
CID 103759854
1-(2-chloro-6-fluorophenyl)-4-methoxy-N,2-dimethylbutan-1-amine
CID 105044732
N-[1-(2,6-difluorophenyl)ethyl]hydroxylamine
CID 82684718
1-(2,6-difluorophenyl)ethanol
CID 5012075
3-(2,6-difluorophenyl)-3-(methylamino)propanoic acid
CID 65236427
2,2-difluoro-N-methyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 80605581
1-(2,5-difluorophenyl)-1-(2,6-difluorophenyl)-N-methylmethanamine
CID 43482919

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine (CID 80605356) is 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine is CNC(c1c(F)cccc1F)C(F)F.
What is the InChIKey of 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine?
The InChIKey is XSTFGASTKPQHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4N/c1-14-8(9(12)13)7-5(10)3-2-4-6(7)11/h2-4,8-9,14H,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine?
1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine has a molecular weight of 207.17 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 80605356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).