(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene

C11H20F2O — CID 58275575

IUPAC(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
SMILESCC(C)C/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+
InChIKeyCCUBEBKZUNQFRZ-FNORWQNLSA-N
MW206.28 g/mol
LogP3.65
Rot. Bonds6

About (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene

(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene (PubChem CID 58275575) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene.

Molecular Properties

Compound Name(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
PubChem CID58275575
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene
SMILESCC(C)C/C=C/C(F)(F)COC(C)C
InChIInChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+
InChIKeyCCUBEBKZUNQFRZ-FNORWQNLSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.65
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-6-methyl-1-propan-2-yloxyhept-3-ene?
The IUPAC name of (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene (CID 58275575) is (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene.
What is the SMILES notation for (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
The canonical SMILES for (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene is CC(C)C/C=C/C(F)(F)COC(C)C.
What is the InChIKey of (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
The InChIKey is CCUBEBKZUNQFRZ-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20F2O/c1-9(2)6-5-7-11(12,13)8-14-10(3)4/h5,7,9-10H,6,8H2,1-4H3/b7-5+.
What are the key properties of (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene?
(E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene has a molecular weight of 206.28 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,2-difluoro-6-methyl-1-propan-2-yloxyhept-3-ene is sourced from PubChem (CID 58275575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).