(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine

C5H11FN2 — CID 139576336

IUPAC(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
SMILESCN/C(CN)=C(\C)F
InChIInChI=1S/C5H11FN2/c1-4(6)5(3-7)8-2/h8H,3,7H2,1-2H3/b5-4+
InChIKeyIWKKKNMOLTYGCC-SNAWJCMRSA-N
MW118.15 g/mol
LogP0.37
Rot. Bonds2

About (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine

(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine (PubChem CID 139576336) has the molecular formula C5H11FN2 and a molecular weight of 118.15 g/mol. Its IUPAC name is (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
PubChem CID139576336
Molecular FormulaC5H11FN2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine
SMILESCN/C(CN)=C(\C)F
InChIInChI=1S/C5H11FN2/c1-4(6)5(3-7)8-2/h8H,3,7H2,1-2H3/b5-4+
InChIKeyIWKKKNMOLTYGCC-SNAWJCMRSA-N
XLogP0.37
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine?
The IUPAC name of (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine (CID 139576336) is (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine.
What is the SMILES notation for (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine?
The canonical SMILES for (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine is CN/C(CN)=C(\C)F.
What is the InChIKey of (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine?
The InChIKey is IWKKKNMOLTYGCC-SNAWJCMRSA-N. The full InChI is InChI=1S/C5H11FN2/c1-4(6)5(3-7)8-2/h8H,3,7H2,1-2H3/b5-4+.
What are the key properties of (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine?
(E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine has a molecular weight of 118.15 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-N-methylbut-2-ene-1,2-diamine is sourced from PubChem (CID 139576336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).