(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene

C10H18F2O — CID 118527065

IUPAC(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene
SMILESCCOCC(F)(F)/C=C/CC(C)C
InChIInChI=1S/C10H18F2O/c1-4-13-8-10(11,12)7-5-6-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b7-5+
InChIKeyUZDDZYUGAAEAFF-FNORWQNLSA-N
MW192.25 g/mol
LogP3.26
Rot. Bonds6

About (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene

(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene (PubChem CID 118527065) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene.

Molecular Properties

Compound Name(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene
PubChem CID118527065
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene
SMILESCCOCC(F)(F)/C=C/CC(C)C
InChIInChI=1S/C10H18F2O/c1-4-13-8-10(11,12)7-5-6-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b7-5+
InChIKeyUZDDZYUGAAEAFF-FNORWQNLSA-N
XLogP3.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.26
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)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene?
The IUPAC name of (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene (CID 118527065) is (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene.
What is the SMILES notation for (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene?
The canonical SMILES for (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene is CCOCC(F)(F)/C=C/CC(C)C.
What is the InChIKey of (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene?
The InChIKey is UZDDZYUGAAEAFF-FNORWQNLSA-N. The full InChI is InChI=1S/C10H18F2O/c1-4-13-8-10(11,12)7-5-6-9(2)3/h5,7,9H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene?
(E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene has a molecular weight of 192.25 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-ethoxy-2,2-difluoro-6-methylhept-3-ene is sourced from PubChem (CID 118527065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).