(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine

C10H14F3N3 — CID 143436998

IUPAC(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine
SMILESC=C/C(C(=C)NC)=C(/N=C)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-5-8(7(2)14-3)9(15-4)16-6-10(11,12)13/h5,14,16H,1-2,4,6H2,3H3/b9-8+
InChIKeyPPMOPXYWDMHXPH-CMDGGOBGSA-N
MW233.24 g/mol
LogP1.97
Rot. Bonds6

About (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine

(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine (PubChem CID 143436998) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine.

Molecular Properties

Compound Name(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine
PubChem CID143436998
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine
SMILESC=C/C(C(=C)NC)=C(/N=C)NCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-5-8(7(2)14-3)9(15-4)16-6-10(11,12)13/h5,14,16H,1-2,4,6H2,3H3/b9-8+
InChIKeyPPMOPXYWDMHXPH-CMDGGOBGSA-N
XLogP1.97
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-methylidene-1-(methylideneamino)-N-(3,3,3-trifluoropropyl)but-1-ene-1,4-diamine
CID 144980134
(1Z)-3-methyl-2-(methylideneamino)-1-N'-(2,2,2-trifluoroethyl)buta-1,3-diene-1,1-diamine
CID 145422882

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine?
The IUPAC name of (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine (CID 143436998) is (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine.
What is the SMILES notation for (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine?
The canonical SMILES for (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine is C=C/C(C(=C)NC)=C(/N=C)NCC(F)(F)F.
What is the InChIKey of (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine?
The InChIKey is PPMOPXYWDMHXPH-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-5-8(7(2)14-3)9(15-4)16-6-10(11,12)13/h5,14,16H,1-2,4,6H2,3H3/b9-8+.
What are the key properties of (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine?
(1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine has a molecular weight of 233.24 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-ethenyl-3-N-methyl-1-(methylideneamino)-1-N-(2,2,2-trifluoroethyl)buta-1,3-diene-1,3-diamine is sourced from PubChem (CID 143436998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).