(Z)-3,3-difluorobut-1-ene-1,2-diamine

C4H8F2N2 — CID 145303701

IUPAC(Z)-3,3-difluorobut-1-ene-1,2-diamine
SMILESCC(F)(F)/C(N)=C/N
InChIInChI=1S/C4H8F2N2/c1-4(5,6)3(8)2-7/h2H,7-8H2,1H3/b3-2-
InChIKeyXEMKVBBALXMTCN-IHWYPQMZSA-N
MW122.12 g/mol
LogP0.40
Rot. Bonds1

About (Z)-3,3-difluorobut-1-ene-1,2-diamine

(Z)-3,3-difluorobut-1-ene-1,2-diamine (PubChem CID 145303701) has the molecular formula C4H8F2N2 and a molecular weight of 122.12 g/mol. Its IUPAC name is (Z)-3,3-difluorobut-1-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-3,3-difluorobut-1-ene-1,2-diamine
PubChem CID145303701
Molecular FormulaC4H8F2N2
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Name(Z)-3,3-difluorobut-1-ene-1,2-diamine
SMILESCC(F)(F)/C(N)=C/N
InChIInChI=1S/C4H8F2N2/c1-4(5,6)3(8)2-7/h2H,7-8H2,1H3/b3-2-
InChIKeyXEMKVBBALXMTCN-IHWYPQMZSA-N
XLogP0.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-difluorobut-1-ene-1,2-diamine?
The IUPAC name of (Z)-3,3-difluorobut-1-ene-1,2-diamine (CID 145303701) is (Z)-3,3-difluorobut-1-ene-1,2-diamine.
What is the SMILES notation for (Z)-3,3-difluorobut-1-ene-1,2-diamine?
The canonical SMILES for (Z)-3,3-difluorobut-1-ene-1,2-diamine is CC(F)(F)/C(N)=C/N.
What is the InChIKey of (Z)-3,3-difluorobut-1-ene-1,2-diamine?
The InChIKey is XEMKVBBALXMTCN-IHWYPQMZSA-N. The full InChI is InChI=1S/C4H8F2N2/c1-4(5,6)3(8)2-7/h2H,7-8H2,1H3/b3-2-.
What are the key properties of (Z)-3,3-difluorobut-1-ene-1,2-diamine?
(Z)-3,3-difluorobut-1-ene-1,2-diamine has a molecular weight of 122.12 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-difluorobut-1-ene-1,2-diamine is sourced from PubChem (CID 145303701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).