(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene

C12H20F4O2 — CID 90708717

IUPAC(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene
SMILESC/C=C/C(F)(F)OC.CCC/C=C/C(F)(F)OC
InChIInChI=1S/C7H12F2O.C5H8F2O/c1-3-4-5-6-7(8,9)10-2;1-3-4-5(6,7)8-2/h5-6H,3-4H2,1-2H3;3-4H,1-2H3/b6-5+;4-3+
InChIKeyPMPIJQAXWNMHSG-YPXSKRLGSA-N
MW272.28 g/mol
LogP4.38
Rot. Bonds6

About (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene

(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene (PubChem CID 90708717) has the molecular formula C12H20F4O2 and a molecular weight of 272.28 g/mol. Its IUPAC name is (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene.

Molecular Properties

Compound Name(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene
PubChem CID90708717
Molecular FormulaC12H20F4O2
Molecular Weight272.28 g/mol
Exact Mass272.14
IUPAC Name(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene
SMILESC/C=C/C(F)(F)OC.CCC/C=C/C(F)(F)OC
InChIInChI=1S/C7H12F2O.C5H8F2O/c1-3-4-5-6-7(8,9)10-2;1-3-4-5(6,7)8-2/h5-6H,3-4H2,1-2H3;3-4H,1-2H3/b6-5+;4-3+
InChIKeyPMPIJQAXWNMHSG-YPXSKRLGSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene?
The IUPAC name of (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene (CID 90708717) is (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene.
What is the SMILES notation for (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene?
The canonical SMILES for (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene is C/C=C/C(F)(F)OC.CCC/C=C/C(F)(F)OC.
What is the InChIKey of (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene?
The InChIKey is PMPIJQAXWNMHSG-YPXSKRLGSA-N. The full InChI is InChI=1S/C7H12F2O.C5H8F2O/c1-3-4-5-6-7(8,9)10-2;1-3-4-5(6,7)8-2/h5-6H,3-4H2,1-2H3;3-4H,1-2H3/b6-5+;4-3+.
What are the key properties of (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene?
(E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene has a molecular weight of 272.28 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1-difluoro-1-methoxybut-2-ene;(E)-1,1-difluoro-1-methoxyhex-2-ene is sourced from PubChem (CID 90708717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).