(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine

C6H12F2N2 — CID 143885953

IUPAC(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NC(F)F
InChIInChI=1S/C6H12F2N2/c1-5(9-2)3-4-10-6(7)8/h3-6,9-10H,1-2H3/b4-3-
InChIKeyRVGPGJKZLQHDJJ-ARJAWSKDSA-N
MW150.17 g/mol
LogP0.92
Rot. Bonds4

About (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine

(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine (PubChem CID 143885953) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine.

Molecular Properties

Compound Name(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine
PubChem CID143885953
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine
SMILESCNC(C)/C=C\NC(F)F
InChIInChI=1S/C6H12F2N2/c1-5(9-2)3-4-10-6(7)8/h3-6,9-10H,1-2H3/b4-3-
InChIKeyRVGPGJKZLQHDJJ-ARJAWSKDSA-N
XLogP0.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine?
The IUPAC name of (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine (CID 143885953) is (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine.
What is the SMILES notation for (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine?
The canonical SMILES for (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine is CNC(C)/C=C\NC(F)F.
What is the InChIKey of (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine?
The InChIKey is RVGPGJKZLQHDJJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-5(9-2)3-4-10-6(7)8/h3-6,9-10H,1-2H3/b4-3-.
What are the key properties of (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine?
(Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine has a molecular weight of 150.17 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-(difluoromethyl)-3-N-methylbut-1-ene-1,3-diamine is sourced from PubChem (CID 143885953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).