2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine

C10H12F3N — CID 83819577

IUPAC2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-10(5-11,6-14)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3
InChIKeyXTHUQTNVVHIDNJ-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.15
Rot. Bonds3

About 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine

2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine (PubChem CID 83819577) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
PubChem CID83819577
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine
SMILESCC(CN)(CF)c1ccc(F)cc1F
InChIInChI=1S/C10H12F3N/c1-10(5-11,6-14)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3
InChIKeyXTHUQTNVVHIDNJ-UHFFFAOYSA-N
XLogP2.15
TPSA26.02 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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-(2,4-difluorophenyl)propan-2-ol;hydrochloride
CID 54593269
N'-[2-(2,4-difluorophenyl)-2-methylpropyl]methanediamine
CID 115226390
1-(2,4-difluorophenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839410
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
2-(2-chloro-5-fluorophenyl)-2-methylbutan-1-amine
CID 83835796
2-fluoro-2-(4-fluoro-2-methylphenyl)propan-1-amine
CID 112565193
3-(2,4-difluorophenyl)-3-methylbutan-1-ol
CID 79838092
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
1-N-[2-(2,4-difluorophenyl)-2-methylpropyl]-2-methylpropane-1,2-diamine
CID 115136355
2-(2,4-difluorophenyl)-2-fluoro-N-methylpropan-1-amine
CID 105425208

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine?
The IUPAC name of 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine (CID 83819577) is 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine?
The canonical SMILES for 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine is CC(CN)(CF)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine?
The InChIKey is XTHUQTNVVHIDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-10(5-11,6-14)8-3-2-7(12)4-9(8)13/h2-4H,5-6,14H2,1H3.
What are the key properties of 2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine?
2-(2,4-difluorophenyl)-3-fluoro-2-methylpropan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.15, 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)-3-fluoro-2-methylpropan-1-amine is sourced from PubChem (CID 83819577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).