2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine

C10H11F4N — CID 80604321

IUPAC2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)(c1ccc(F)c(F)c1)C(F)F
InChIInChI=1S/C10H11F4N/c1-10(15-2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5,9,15H,1-2H3
InChIKeyWQXFCUWIZQMECI-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.66
Rot. Bonds3

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

2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine (PubChem CID 80604321) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
PubChem CID80604321
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine
SMILESCNC(C)(c1ccc(F)c(F)c1)C(F)F
InChIInChI=1S/C10H11F4N/c1-10(15-2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5,9,15H,1-2H3
InChIKeyWQXFCUWIZQMECI-UHFFFAOYSA-N
XLogP2.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The IUPAC name of 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine (CID 80604321) is 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The canonical SMILES for 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine is CNC(C)(c1ccc(F)c(F)c1)C(F)F.
What is the InChIKey of 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine?
The InChIKey is WQXFCUWIZQMECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c1-10(15-2,9(13)14)6-3-4-7(11)8(12)5-6/h3-5,9,15H,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine?
2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine has a molecular weight of 221.20 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-1,1-difluoro-N-methylpropan-2-amine is sourced from PubChem (CID 80604321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).