1,3-difluoro-2-methylpropan-2-amine

C4H9F2N — CID 10964647

IUPAC1,3-difluoro-2-methylpropan-2-amine
SMILESCC(N)(CF)CF
InChIInChI=1S/C4H9F2N/c1-4(7,2-5)3-6/h2-3,7H2,1H3
InChIKeyYMIDBCOEKPKMOF-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.64
Rot. Bonds2

About 1,3-difluoro-2-methylpropan-2-amine

1,3-difluoro-2-methylpropan-2-amine (PubChem CID 10964647) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 1,3-difluoro-2-methylpropan-2-amine.

Molecular Properties

Compound Name1,3-difluoro-2-methylpropan-2-amine
PubChem CID10964647
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name1,3-difluoro-2-methylpropan-2-amine
SMILESCC(N)(CF)CF
InChIInChI=1S/C4H9F2N/c1-4(7,2-5)3-6/h2-3,7H2,1H3
InChIKeyYMIDBCOEKPKMOF-UHFFFAOYSA-N
XLogP0.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylpropan-2-amine?
The IUPAC name of 1,3-difluoro-2-methylpropan-2-amine (CID 10964647) is 1,3-difluoro-2-methylpropan-2-amine.
What is the SMILES notation for 1,3-difluoro-2-methylpropan-2-amine?
The canonical SMILES for 1,3-difluoro-2-methylpropan-2-amine is CC(N)(CF)CF.
What is the InChIKey of 1,3-difluoro-2-methylpropan-2-amine?
The InChIKey is YMIDBCOEKPKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c1-4(7,2-5)3-6/h2-3,7H2,1H3.
What are the key properties of 1,3-difluoro-2-methylpropan-2-amine?
1,3-difluoro-2-methylpropan-2-amine has a molecular weight of 109.12 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylpropan-2-amine is sourced from PubChem (CID 10964647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).