(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane

C9H8F6O — CID 134921847

IUPAC(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane
SMILESC/C=C1\C(=C(C(F)(F)F)C(F)(F)F)OC1C
InChIInChI=1S/C9H8F6O/c1-3-5-4(2)16-6(5)7(8(10,11)12)9(13,14)15/h3-4H,1-2H3/b5-3-
InChIKeyWPOJCFBRIVZPQZ-HYXAFXHYSA-N
MW246.15 g/mol
LogP3.73
Rot. Bonds

About (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane

(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane (PubChem CID 134921847) has the molecular formula C9H8F6O and a molecular weight of 246.15 g/mol. Its IUPAC name is (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane.

Molecular Properties

Compound Name(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane
PubChem CID134921847
Molecular FormulaC9H8F6O
Molecular Weight246.15 g/mol
Exact Mass246.05
IUPAC Name(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane
SMILESC/C=C1\C(=C(C(F)(F)F)C(F)(F)F)OC1C
InChIInChI=1S/C9H8F6O/c1-3-5-4(2)16-6(5)7(8(10,11)12)9(13,14)15/h3-4H,1-2H3/b5-3-
InChIKeyWPOJCFBRIVZPQZ-HYXAFXHYSA-N
XLogP3.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane?
The IUPAC name of (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane (CID 134921847) is (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane.
What is the SMILES notation for (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane?
The canonical SMILES for (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane is C/C=C1\C(=C(C(F)(F)F)C(F)(F)F)OC1C.
What is the InChIKey of (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane?
The InChIKey is WPOJCFBRIVZPQZ-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H8F6O/c1-3-5-4(2)16-6(5)7(8(10,11)12)9(13,14)15/h3-4H,1-2H3/b5-3-.
What are the key properties of (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane?
(3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane has a molecular weight of 246.15 g/mol, XLogP of 3.73, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-2-(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-4-methyloxetane is sourced from PubChem (CID 134921847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).