3-ethoxy-4,4-difluoro-5-methylhex-2-ene

C9H16F2O — CID 145300812

IUPAC3-ethoxy-4,4-difluoro-5-methylhex-2-ene
SMILESCC=C(OCC)C(F)(F)C(C)C
InChIInChI=1S/C9H16F2O/c1-5-8(12-6-2)9(10,11)7(3)4/h5,7H,6H2,1-4H3
InChIKeyUESORNSMULYFAC-UHFFFAOYSA-N
MW178.22 g/mol
LogP3.22
Rot. Bonds4

About 3-ethoxy-4,4-difluoro-5-methylhex-2-ene

3-ethoxy-4,4-difluoro-5-methylhex-2-ene (PubChem CID 145300812) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 3-ethoxy-4,4-difluoro-5-methylhex-2-ene.

Molecular Properties

Compound Name3-ethoxy-4,4-difluoro-5-methylhex-2-ene
PubChem CID145300812
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name3-ethoxy-4,4-difluoro-5-methylhex-2-ene
SMILESCC=C(OCC)C(F)(F)C(C)C
InChIInChI=1S/C9H16F2O/c1-5-8(12-6-2)9(10,11)7(3)4/h5,7H,6H2,1-4H3
InChIKeyUESORNSMULYFAC-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-difluoro-5-methylhex-2-ene?
The IUPAC name of 3-ethoxy-4,4-difluoro-5-methylhex-2-ene (CID 145300812) is 3-ethoxy-4,4-difluoro-5-methylhex-2-ene.
What is the SMILES notation for 3-ethoxy-4,4-difluoro-5-methylhex-2-ene?
The canonical SMILES for 3-ethoxy-4,4-difluoro-5-methylhex-2-ene is CC=C(OCC)C(F)(F)C(C)C.
What is the InChIKey of 3-ethoxy-4,4-difluoro-5-methylhex-2-ene?
The InChIKey is UESORNSMULYFAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-5-8(12-6-2)9(10,11)7(3)4/h5,7H,6H2,1-4H3.
What are the key properties of 3-ethoxy-4,4-difluoro-5-methylhex-2-ene?
3-ethoxy-4,4-difluoro-5-methylhex-2-ene has a molecular weight of 178.22 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-difluoro-5-methylhex-2-ene is sourced from PubChem (CID 145300812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).