2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine

C10H12F3N — CID 105425208

IUPAC2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-10(13,6-14-2)8-4-3-7(11)5-9(8)12/h3-5,14H,6H2,1-2H3
InChIKeyQCMMXSFAIVBKIH-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.37
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine

2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine (PubChem CID 105425208) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
PubChem CID105425208
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
SMILESCNCC(C)(F)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-10(13,6-14-2)8-4-3-7(11)5-9(8)12/h3-5,14H,6H2,1-2H3
InChIKeyQCMMXSFAIVBKIH-UHFFFAOYSA-N
XLogP2.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-difluorophenyl)-1-methoxy-N-methylpropan-2-amine
CID 123148400
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2-(2-fluoro-4-methylphenyl)-N,2-dimethylpropan-1-amine
CID 83698847
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,4-difluorophenyl)propane-1,2-diol
CID 22107607
1-(2,3-dimethylbutan-2-yl)-2,4-difluorobenzene
CID 176962809
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
1-(cyclopropylamino)-2-(2,4-difluorophenyl)propan-2-ol
CID 62772825
2-[(2,4-difluorophenyl)methyl]-N,2-dimethylbut-3-en-1-amine
CID 102640578
2-(2,4-difluorophenyl)-N-ethyl-2-propylpentan-1-amine
CID 64558725

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine (CID 105425208) is 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine is CNCC(C)(F)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine?
The InChIKey is QCMMXSFAIVBKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(13,6-14-2)8-4-3-7(11)5-9(8)12/h3-5,14H,6H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine?
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 105425208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).