(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane

C9H14F2 — CID 143383113

IUPAC(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
SMILESC=C(C)/C=C(/F)C(=C)F.CC
InChIInChI=1S/C7H8F2.C2H6/c1-5(2)4-7(9)6(3)8;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;
InChIKeyWXKOKJBFTSNMFW-KQGICBIGSA-N
MW160.21 g/mol
LogP3.93
Rot. Bonds2

About (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane

(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane (PubChem CID 143383113) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane.

Molecular Properties

Compound Name(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
PubChem CID143383113
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
SMILESC=C(C)/C=C(/F)C(=C)F.CC
InChIInChI=1S/C7H8F2.C2H6/c1-5(2)4-7(9)6(3)8;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;
InChIKeyWXKOKJBFTSNMFW-KQGICBIGSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane?
The IUPAC name of (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane (CID 143383113) is (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane.
What is the SMILES notation for (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane?
The canonical SMILES for (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane is C=C(C)/C=C(/F)C(=C)F.CC.
What is the InChIKey of (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane?
The InChIKey is WXKOKJBFTSNMFW-KQGICBIGSA-N. The full InChI is InChI=1S/C7H8F2.C2H6/c1-5(2)4-7(9)6(3)8;1-2/h4H,1,3H2,2H3;1-2H3/b7-4+;.
What are the key properties of (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane?
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane has a molecular weight of 160.21 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane is sourced from PubChem (CID 143383113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).