3-(difluoromethoxy)-2-methylhex-3-ene

C8H14F2O — CID 123361665

IUPAC3-(difluoromethoxy)-2-methylhex-3-ene
SMILESCCC=C(OC(F)F)C(C)C
InChIInChI=1S/C8H14F2O/c1-4-5-7(6(2)3)11-8(9)10/h5-6,8H,4H2,1-3H3
InChIKeyXEKKNFMIHAZEKW-UHFFFAOYSA-N
MW164.19 g/mol
LogP3.18
Rot. Bonds4

About 3-(difluoromethoxy)-2-methylhex-3-ene

3-(difluoromethoxy)-2-methylhex-3-ene (PubChem CID 123361665) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-2-methylhex-3-ene.

Molecular Properties

Compound Name3-(difluoromethoxy)-2-methylhex-3-ene
PubChem CID123361665
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name3-(difluoromethoxy)-2-methylhex-3-ene
SMILESCCC=C(OC(F)F)C(C)C
InChIInChI=1S/C8H14F2O/c1-4-5-7(6(2)3)11-8(9)10/h5-6,8H,4H2,1-3H3
InChIKeyXEKKNFMIHAZEKW-UHFFFAOYSA-N
XLogP3.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 53.18
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-(difluoromethoxy)-2-methylhex-3-ene?
The IUPAC name of 3-(difluoromethoxy)-2-methylhex-3-ene (CID 123361665) is 3-(difluoromethoxy)-2-methylhex-3-ene.
What is the SMILES notation for 3-(difluoromethoxy)-2-methylhex-3-ene?
The canonical SMILES for 3-(difluoromethoxy)-2-methylhex-3-ene is CCC=C(OC(F)F)C(C)C.
What is the InChIKey of 3-(difluoromethoxy)-2-methylhex-3-ene?
The InChIKey is XEKKNFMIHAZEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-4-5-7(6(2)3)11-8(9)10/h5-6,8H,4H2,1-3H3.
What are the key properties of 3-(difluoromethoxy)-2-methylhex-3-ene?
3-(difluoromethoxy)-2-methylhex-3-ene has a molecular weight of 164.19 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-2-methylhex-3-ene is sourced from PubChem (CID 123361665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).