(Z)-4,4-difluoro-N-methylbut-1-en-1-amine

C5H9F2N — CID 155439956

IUPAC(Z)-4,4-difluoro-N-methylbut-1-en-1-amine
SMILESCN/C=C\CC(F)F
InChIInChI=1S/C5H9F2N/c1-8-4-2-3-5(6)7/h2,4-5,8H,3H2,1H3/b4-2-
InChIKeyMYJNKNYRPDITRG-RQOWECAXSA-N
MW121.13 g/mol
LogP1.37
Rot. Bonds3

About (Z)-4,4-difluoro-N-methylbut-1-en-1-amine

(Z)-4,4-difluoro-N-methylbut-1-en-1-amine (PubChem CID 155439956) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (Z)-4,4-difluoro-N-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4-difluoro-N-methylbut-1-en-1-amine
PubChem CID155439956
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(Z)-4,4-difluoro-N-methylbut-1-en-1-amine
SMILESCN/C=C\CC(F)F
InChIInChI=1S/C5H9F2N/c1-8-4-2-3-5(6)7/h2,4-5,8H,3H2,1H3/b4-2-
InChIKeyMYJNKNYRPDITRG-RQOWECAXSA-N
XLogP1.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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 (Z)-4,4-difluoro-N-methylbut-1-en-1-amine?
The IUPAC name of (Z)-4,4-difluoro-N-methylbut-1-en-1-amine (CID 155439956) is (Z)-4,4-difluoro-N-methylbut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4-difluoro-N-methylbut-1-en-1-amine?
The canonical SMILES for (Z)-4,4-difluoro-N-methylbut-1-en-1-amine is CN/C=C\CC(F)F.
What is the InChIKey of (Z)-4,4-difluoro-N-methylbut-1-en-1-amine?
The InChIKey is MYJNKNYRPDITRG-RQOWECAXSA-N. The full InChI is InChI=1S/C5H9F2N/c1-8-4-2-3-5(6)7/h2,4-5,8H,3H2,1H3/b4-2-.
What are the key properties of (Z)-4,4-difluoro-N-methylbut-1-en-1-amine?
(Z)-4,4-difluoro-N-methylbut-1-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-N-methylbut-1-en-1-amine is sourced from PubChem (CID 155439956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).