(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane

C12H18F2O — CID 144931713

IUPAC(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane
SMILESC=C(C)/C=C1\C(=C)OCCC1(F)F.CC
InChIInChI=1S/C10H12F2O.C2H6/c1-7(2)6-9-8(3)13-5-4-10(9,11)12;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+;
InChIKeyMBIIRCLIGFIUFJ-MLBSPLJJSA-N
MW216.27 g/mol
LogP4.08
Rot. Bonds1

About (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane

(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane (PubChem CID 144931713) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane.

Molecular Properties

Compound Name(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane
PubChem CID144931713
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane
SMILESC=C(C)/C=C1\C(=C)OCCC1(F)F.CC
InChIInChI=1S/C10H12F2O.C2H6/c1-7(2)6-9-8(3)13-5-4-10(9,11)12;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+;
InChIKeyMBIIRCLIGFIUFJ-MLBSPLJJSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane?
The IUPAC name of (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane (CID 144931713) is (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane.
What is the SMILES notation for (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane?
The canonical SMILES for (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane is C=C(C)/C=C1\C(=C)OCCC1(F)F.CC.
What is the InChIKey of (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane?
The InChIKey is MBIIRCLIGFIUFJ-MLBSPLJJSA-N. The full InChI is InChI=1S/C10H12F2O.C2H6/c1-7(2)6-9-8(3)13-5-4-10(9,11)12;1-2/h6H,1,3-5H2,2H3;1-2H3/b9-6+;.
What are the key properties of (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane?
(3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane has a molecular weight of 216.27 g/mol, XLogP of 4.08, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4,4-difluoro-2-methylidene-3-(2-methylprop-2-enylidene)oxane;ethane is sourced from PubChem (CID 144931713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).