4-(difluoromethoxy)cyclohexene

C7H10F2O — CID 123592626

IUPAC4-(difluoromethoxy)cyclohexene
SMILESFC(F)OC1CC=CCC1
InChIInChI=1S/C7H10F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
InChIKeyWNOOXSMQRBDSJG-UHFFFAOYSA-N
MW148.15 g/mol
LogP2.33
Rot. Bonds2

About 4-(difluoromethoxy)cyclohexene

4-(difluoromethoxy)cyclohexene (PubChem CID 123592626) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is 4-(difluoromethoxy)cyclohexene.

Molecular Properties

Compound Name4-(difluoromethoxy)cyclohexene
PubChem CID123592626
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name4-(difluoromethoxy)cyclohexene
SMILESFC(F)OC1CC=CCC1
InChIInChI=1S/C7H10F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2
InChIKeyWNOOXSMQRBDSJG-UHFFFAOYSA-N
XLogP2.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-propan-2-yloxycyclohexene
CID 20567917
4-(3-methylbutan-2-yloxy)cyclohexene
CID 89432419
4-(3,3-dimethylbutan-2-yloxy)cyclohexene
CID 19379319
3-(difluoromethoxy)-8-azabicyclo[3.2.1]octane
CID 122242169
(1E,5R)-5-propan-2-yloxycyclooctene
CID 177100043
trans-(1S,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707197
cis-(1R,3S)-3-(difluoromethoxy)cyclohexan-1-amine
CID 99707198
cyclohex-3-en-1-yl (2R)-2-amino-3-sulfanylpropanoate
CID 139939163
1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
1-(difluoromethoxy)-4-methylcyclohexane;ethene
CID 158991402
2-amino-1-cyclooct-3-en-1-yloxy-3-sulfanylpropan-1-ol
CID 163740188
1-(difluoromethoxy)-3-propan-2-ylcyclohexane
CID 89268297

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)cyclohexene?
The IUPAC name of 4-(difluoromethoxy)cyclohexene (CID 123592626) is 4-(difluoromethoxy)cyclohexene.
What is the SMILES notation for 4-(difluoromethoxy)cyclohexene?
The canonical SMILES for 4-(difluoromethoxy)cyclohexene is FC(F)OC1CC=CCC1.
What is the InChIKey of 4-(difluoromethoxy)cyclohexene?
The InChIKey is WNOOXSMQRBDSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O/c8-7(9)10-6-4-2-1-3-5-6/h1-2,6-7H,3-5H2.
What are the key properties of 4-(difluoromethoxy)cyclohexene?
4-(difluoromethoxy)cyclohexene has a molecular weight of 148.15 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)cyclohexene is sourced from PubChem (CID 123592626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).