(E)-3,3-difluoro-2-methylbut-1-en-1-amine

C5H9F2N — CID 149312346

IUPAC(E)-3,3-difluoro-2-methylbut-1-en-1-amine
SMILESC/C(=C\N)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4(3-8)5(2,6)7/h3H,8H2,1-2H3/b4-3+
InChIKeyXYVVBLGOSRQMBZ-ONEGZZNKSA-N
MW121.13 g/mol
LogP1.50
Rot. Bonds1

About (E)-3,3-difluoro-2-methylbut-1-en-1-amine

(E)-3,3-difluoro-2-methylbut-1-en-1-amine (PubChem CID 149312346) has the molecular formula C5H9F2N and a molecular weight of 121.13 g/mol. Its IUPAC name is (E)-3,3-difluoro-2-methylbut-1-en-1-amine.

Molecular Properties

Compound Name(E)-3,3-difluoro-2-methylbut-1-en-1-amine
PubChem CID149312346
Molecular FormulaC5H9F2N
Molecular Weight121.13 g/mol
Exact Mass121.07
IUPAC Name(E)-3,3-difluoro-2-methylbut-1-en-1-amine
SMILESC/C(=C\N)C(C)(F)F
InChIInChI=1S/C5H9F2N/c1-4(3-8)5(2,6)7/h3H,8H2,1-2H3/b4-3+
InChIKeyXYVVBLGOSRQMBZ-ONEGZZNKSA-N
XLogP1.50
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3-difluoro-2-methylbut-1-en-1-amine?
The IUPAC name of (E)-3,3-difluoro-2-methylbut-1-en-1-amine (CID 149312346) is (E)-3,3-difluoro-2-methylbut-1-en-1-amine.
What is the SMILES notation for (E)-3,3-difluoro-2-methylbut-1-en-1-amine?
The canonical SMILES for (E)-3,3-difluoro-2-methylbut-1-en-1-amine is C/C(=C\N)C(C)(F)F.
What is the InChIKey of (E)-3,3-difluoro-2-methylbut-1-en-1-amine?
The InChIKey is XYVVBLGOSRQMBZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H9F2N/c1-4(3-8)5(2,6)7/h3H,8H2,1-2H3/b4-3+.
What are the key properties of (E)-3,3-difluoro-2-methylbut-1-en-1-amine?
(E)-3,3-difluoro-2-methylbut-1-en-1-amine has a molecular weight of 121.13 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-2-methylbut-1-en-1-amine is sourced from PubChem (CID 149312346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).