ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane

C20H32F2N2 — CID 145320344

IUPACethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane
SMILESC.C=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1.CC
InChIInChI=1S/C17H22F2N2.C2H6.CH4/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21;1-2;/h4-8,11,16-17H,3,9-10,12H2,1-2H3;1-2H3;1H4/b6-4-,14-5+;;
InChIKeyYBXOITVABSKMNN-PYYQDHMNSA-N
MW338.49 g/mol
LogP5.39
Rot. Bonds4

About ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane

ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane (PubChem CID 145320344) has the molecular formula C20H32F2N2 and a molecular weight of 338.49 g/mol. Its IUPAC name is ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane.

Molecular Properties

Compound Nameethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane
PubChem CID145320344
Molecular FormulaC20H32F2N2
Molecular Weight338.49 g/mol
Exact Mass338.25
IUPAC Nameethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane
SMILESC.C=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1.CC
InChIInChI=1S/C17H22F2N2.C2H6.CH4/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21;1-2;/h4-8,11,16-17H,3,9-10,12H2,1-2H3;1-2H3;1H4/b6-4-,14-5+;;
InChIKeyYBXOITVABSKMNN-PYYQDHMNSA-N
XLogP5.39
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.49
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane?
The IUPAC name of ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane (CID 145320344) is ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane.
What is the SMILES notation for ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane?
The canonical SMILES for ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane is C.C=C1C=CN2CCN(C(C(/C=C\C)=C/C)C(F)F)CC2=C1.CC.
What is the InChIKey of ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane?
The InChIKey is YBXOITVABSKMNN-PYYQDHMNSA-N. The full InChI is InChI=1S/C17H22F2N2.C2H6.CH4/c1-4-6-14(5-2)16(17(18)19)21-10-9-20-8-7-13(3)11-15(20)12-21;1-2;/h4-8,11,16-17H,3,9-10,12H2,1-2H3;1-2H3;1H4/b6-4-,14-5+;;.
What are the key properties of ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane?
ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane has a molecular weight of 338.49 g/mol, XLogP of 5.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(Z,3E)-3-ethylidene-1,1-difluorohex-4-en-2-yl]-8-methylidene-3,4-dihydro-1H-pyrido[1,2-a]pyrazine;methane is sourced from PubChem (CID 145320344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).