(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene

C12H22F2O — CID 58275581

IUPAC(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
SMILESCC(C)CC/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+
InChIKeyBVSXYTZDJXAQQM-SOFGYWHQSA-N
MW220.30 g/mol
LogP4.04
Rot. Bonds7

About (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene

(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene (PubChem CID 58275581) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene.

Molecular Properties

Compound Name(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
PubChem CID58275581
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene
SMILESCC(C)CC/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+
InChIKeyBVSXYTZDJXAQQM-SOFGYWHQSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The IUPAC name of (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene (CID 58275581) is (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene.
What is the SMILES notation for (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The canonical SMILES for (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene is CC(C)CC/C=C/C(F)(F)COC(C)C.
What is the InChIKey of (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
The InChIKey is BVSXYTZDJXAQQM-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H22F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h6,8,10-11H,5,7,9H2,1-4H3/b8-6+.
What are the key properties of (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene?
(E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene has a molecular weight of 220.30 g/mol, XLogP of 4.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-7-methyl-1-propan-2-yloxyoct-3-ene is sourced from PubChem (CID 58275581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).