(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine

C8H12F2N2O — CID 89204077

IUPAC(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C(=C\C(C)=C/N)OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(4-11)3-7(6(2)12)13-8(9)10/h3-4,8H,2,11-12H2,1H3/b5-4-,7-3+
InChIKeyIEAAPOPMMYWSHO-SBYNAHCQSA-N
MW190.19 g/mol
LogP1.44
Rot. Bonds4

About (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine

(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine (PubChem CID 89204077) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine.

Molecular Properties

Compound Name(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine
PubChem CID89204077
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine
SMILESC=C(N)/C(=C\C(C)=C/N)OC(F)F
InChIInChI=1S/C8H12F2N2O/c1-5(4-11)3-7(6(2)12)13-8(9)10/h3-4,8H,2,11-12H2,1H3/b5-4-,7-3+
InChIKeyIEAAPOPMMYWSHO-SBYNAHCQSA-N
XLogP1.44
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

3-(Difluoromethoxy)-1,5-dimethyl-2-methylidenepyridine
CID 164117242
(1Z,3E)-4-methoxy-2-methylhexa-1,3,5-triene-1,5-diamine
CID 89204076
(1Z,3E,6E)-4-ethenyl-2,7-dimethoxy-5-methylidenenona-1,3,6,8-tetraene-1,8-diamine
CID 146245986

Frequently Asked Questions

What is the IUPAC name of (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine?
The IUPAC name of (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine (CID 89204077) is (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine.
What is the SMILES notation for (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine?
The canonical SMILES for (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine is C=C(N)/C(=C\C(C)=C/N)OC(F)F.
What is the InChIKey of (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine?
The InChIKey is IEAAPOPMMYWSHO-SBYNAHCQSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5(4-11)3-7(6(2)12)13-8(9)10/h3-4,8H,2,11-12H2,1H3/b5-4-,7-3+.
What are the key properties of (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine?
(1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine has a molecular weight of 190.19 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E)-4-(difluoromethoxy)-2-methylhexa-1,3,5-triene-1,5-diamine is sourced from PubChem (CID 89204077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).