4-fluorobut-1-ene-1,2-diamine

C4H9FN2 — CID 175006969

IUPAC4-fluorobut-1-ene-1,2-diamine
SMILESNC=C(N)CCF
InChIInChI=1S/C4H9FN2/c5-2-1-4(7)3-6/h3H,1-2,6-7H2
InChIKeyMHSMASXIZKCZOW-UHFFFAOYSA-N
MW104.13 g/mol
LogP0.10
Rot. Bonds2

About 4-fluorobut-1-ene-1,2-diamine

4-fluorobut-1-ene-1,2-diamine (PubChem CID 175006969) has the molecular formula C4H9FN2 and a molecular weight of 104.13 g/mol. Its IUPAC name is 4-fluorobut-1-ene-1,2-diamine.

Molecular Properties

Compound Name4-fluorobut-1-ene-1,2-diamine
PubChem CID175006969
Molecular FormulaC4H9FN2
Molecular Weight104.13 g/mol
Exact Mass104.07
IUPAC Name4-fluorobut-1-ene-1,2-diamine
SMILESNC=C(N)CCF
InChIInChI=1S/C4H9FN2/c5-2-1-4(7)3-6/h3H,1-2,6-7H2
InChIKeyMHSMASXIZKCZOW-UHFFFAOYSA-N
XLogP0.10
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.13
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluorobut-1-ene-1,2-diamine?
The IUPAC name of 4-fluorobut-1-ene-1,2-diamine (CID 175006969) is 4-fluorobut-1-ene-1,2-diamine.
What is the SMILES notation for 4-fluorobut-1-ene-1,2-diamine?
The canonical SMILES for 4-fluorobut-1-ene-1,2-diamine is NC=C(N)CCF.
What is the InChIKey of 4-fluorobut-1-ene-1,2-diamine?
The InChIKey is MHSMASXIZKCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2/c5-2-1-4(7)3-6/h3H,1-2,6-7H2.
What are the key properties of 4-fluorobut-1-ene-1,2-diamine?
4-fluorobut-1-ene-1,2-diamine has a molecular weight of 104.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluorobut-1-ene-1,2-diamine is sourced from PubChem (CID 175006969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).