(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine

C5H8F2N2 — CID 138746536

IUPAC(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(/C=C\C)C(F)F
InChIInChI=1S/C5H8F2N2/c1-3-4-9(8-2)5(6)7/h3-5H,2H2,1H3/b4-3-
InChIKeyUBHLIQGMMDPNEI-ARJAWSKDSA-N
MW134.13 g/mol
LogP1.66
Rot. Bonds3

About (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine

(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine (PubChem CID 138746536) has the molecular formula C5H8F2N2 and a molecular weight of 134.13 g/mol. Its IUPAC name is (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine
PubChem CID138746536
Molecular FormulaC5H8F2N2
Molecular Weight134.13 g/mol
Exact Mass134.07
IUPAC Name(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine
SMILESC=NN(/C=C\C)C(F)F
InChIInChI=1S/C5H8F2N2/c1-3-4-9(8-2)5(6)7/h3-5H,2H2,1H3/b4-3-
InChIKeyUBHLIQGMMDPNEI-ARJAWSKDSA-N
XLogP1.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.13
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(difluoromethyl)-N-methylethenamine
CID 162573446
N-ethenyl-N-methylprop-1-en-1-amine
CID 72587772
(E)-N-ethenyl-N-methylprop-1-en-1-amine
CID 18732256
N'-methyl-N-(methylideneamino)-N-propan-2-ylmethanimidamide
CID 138660101
1-fluoro-N-methyl-N-(methylideneamino)ethanamine
CID 167186063
(1Z)-[fluoro-(methylideneamino)hydrazinylidene]ethane
CID 168921529
(Z)-2-N,3-dimethyl-2-N-[(Z)-prop-1-enyl]but-1-ene-1,2-diamine
CID 170117762
(E)-N-methyl-N-(methylideneamino)but-2-en-1-amine
CID 5364995
1,1-difluoroethane
CID 6368
[amino-[(Z)-prop-1-enyl]amino]methanamine
CID 146336863
N-[(2E,4Z)-hexa-2,4-dien-3-yl]methanimine
CID 142024133
N-[(Z)-pent-3-en-2-yl]methanimine
CID 144579517

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine?
The IUPAC name of (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine (CID 138746536) is (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine.
What is the SMILES notation for (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine?
The canonical SMILES for (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine is C=NN(/C=C\C)C(F)F.
What is the InChIKey of (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine?
The InChIKey is UBHLIQGMMDPNEI-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H8F2N2/c1-3-4-9(8-2)5(6)7/h3-5H,2H2,1H3/b4-3-.
What are the key properties of (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine?
(Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine has a molecular weight of 134.13 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(difluoromethyl)-N-(methylideneamino)prop-1-en-1-amine is sourced from PubChem (CID 138746536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).