3,3-difluoro-N-methylbut-1-en-2-amine

C5H9F2N — CID 129271609

IUPAC3,3-difluoro-N-methylbut-1-en-2-amine
SMILESC=C(NC)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4(8-3)5(2,6)7/h8H,1H2,2-3H3
InChIKeyPTKQFZZTZTYLMG-UHFFFAOYSA-N
MW121.13 g/mol
LogP1.37
Rot. Bonds2

About 3,3-difluoro-N-methylbut-1-en-2-amine

3,3-difluoro-N-methylbut-1-en-2-amine (PubChem CID 129271609) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is 3,3-difluoro-N-methylbut-1-en-2-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methylbut-1-en-2-amine
PubChem CID129271609
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name3,3-difluoro-N-methylbut-1-en-2-amine
SMILESC=C(NC)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4(8-3)5(2,6)7/h8H,1H2,2-3H3
InChIKeyPTKQFZZTZTYLMG-UHFFFAOYSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methylbut-1-en-2-amine?
The IUPAC name of 3,3-difluoro-N-methylbut-1-en-2-amine (CID 129271609) is 3,3-difluoro-N-methylbut-1-en-2-amine.
What is the SMILES notation for 3,3-difluoro-N-methylbut-1-en-2-amine?
The canonical SMILES for 3,3-difluoro-N-methylbut-1-en-2-amine is C=C(NC)C(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-methylbut-1-en-2-amine?
The InChIKey is PTKQFZZTZTYLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4(8-3)5(2,6)7/h8H,1H2,2-3H3.
What are the key properties of 3,3-difluoro-N-methylbut-1-en-2-amine?
3,3-difluoro-N-methylbut-1-en-2-amine has a molecular weight of 121.13 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methylbut-1-en-2-amine is sourced from PubChem (CID 129271609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).