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

C4H9F2N — CID 84647641

IUPAC3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)F
InChIInChI=1S/C4H9F2N/c1-3(2-7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyVIJYKDCSCUREMN-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.85
Rot. Bonds2

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

3,3-difluoro-2-methylpropan-1-amine (PubChem CID 84647641) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-methylpropan-1-amine
PubChem CID84647641
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name3,3-difluoro-2-methylpropan-1-amine
SMILESCC(CN)C(F)F
InChIInChI=1S/C4H9F2N/c1-3(2-7)4(5)6/h3-4H,2,7H2,1H3
InChIKeyVIJYKDCSCUREMN-UHFFFAOYSA-N
XLogP0.85
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 ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylpropan-1-amine?
The IUPAC name of 3,3-difluoro-2-methylpropan-1-amine (CID 84647641) is 3,3-difluoro-2-methylpropan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-methylpropan-1-amine?
The canonical SMILES for 3,3-difluoro-2-methylpropan-1-amine is CC(CN)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylpropan-1-amine?
The InChIKey is VIJYKDCSCUREMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c1-3(2-7)4(5)6/h3-4H,2,7H2,1H3.
What are the key properties of 3,3-difluoro-2-methylpropan-1-amine?
3,3-difluoro-2-methylpropan-1-amine has a molecular weight of 109.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpropan-1-amine is sourced from PubChem (CID 84647641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).