1-ethoxy-4,4-difluorocyclohexene

C8H12F2O — CID 90862971

IUPAC1-ethoxy-4,4-difluorocyclohexene
SMILESCCOC1=CCC(F)(F)CC1
InChIInChI=1S/C8H12F2O/c1-2-11-7-3-5-8(9,10)6-4-7/h3H,2,4-6H2,1H3
InChIKeySLLVWVOKALFPPT-UHFFFAOYSA-N
MW162.18 g/mol
LogP2.73
Rot. Bonds2

About 1-ethoxy-4,4-difluorocyclohexene

1-ethoxy-4,4-difluorocyclohexene (PubChem CID 90862971) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-ethoxy-4,4-difluorocyclohexene.

Molecular Properties

Compound Name1-ethoxy-4,4-difluorocyclohexene
PubChem CID90862971
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1-ethoxy-4,4-difluorocyclohexene
SMILESCCOC1=CCC(F)(F)CC1
InChIInChI=1S/C8H12F2O/c1-2-11-7-3-5-8(9,10)6-4-7/h3H,2,4-6H2,1H3
InChIKeySLLVWVOKALFPPT-UHFFFAOYSA-N
XLogP2.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethoxycyclohexene
CID 224844
1-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
6-Fluoro-1-methoxycyclohex-1-ene
CID 13665109
1-Propoxycyclohex-1-ene
CID 20071904
1-Butoxycyclohexene
CID 21997072
1-Isopropoxycyclohexene
CID 4366136
1-(Fluoromethoxy)cyclohexene
CID 21447465
6-(difluoromethyl)-3,4-dihydro-2H-pyran
CID 54476084
1-But-3-enoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohexene
CID 59259645
(6S)-6-fluoro-1-methoxycyclohexene
CID 89044719
3-Ethoxy-6,6,6-trifluorohex-2-ene
CID 91542609
6,6,6-Trifluoro-3-propoxyhex-2-ene
CID 91556073

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,4-difluorocyclohexene?
The IUPAC name of 1-ethoxy-4,4-difluorocyclohexene (CID 90862971) is 1-ethoxy-4,4-difluorocyclohexene.
What is the SMILES notation for 1-ethoxy-4,4-difluorocyclohexene?
The canonical SMILES for 1-ethoxy-4,4-difluorocyclohexene is CCOC1=CCC(F)(F)CC1.
What is the InChIKey of 1-ethoxy-4,4-difluorocyclohexene?
The InChIKey is SLLVWVOKALFPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-2-11-7-3-5-8(9,10)6-4-7/h3H,2,4-6H2,1H3.
What are the key properties of 1-ethoxy-4,4-difluorocyclohexene?
1-ethoxy-4,4-difluorocyclohexene has a molecular weight of 162.18 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-difluorocyclohexene is sourced from PubChem (CID 90862971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).