1-(difluoromethoxy)-4-methylcyclohexane;ethene

C10H18F2O — CID 158991402

IUPAC1-(difluoromethoxy)-4-methylcyclohexane;ethene
SMILESC=C.CC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O.C2H4/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H2
InChIKeyJQEZMTMLOBXZBO-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.61
Rot. Bonds2

About 1-(difluoromethoxy)-4-methylcyclohexane;ethene

1-(difluoromethoxy)-4-methylcyclohexane;ethene (PubChem CID 158991402) has the molecular formula C10H18F2O and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylcyclohexane;ethene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylcyclohexane;ethene
PubChem CID158991402
Molecular FormulaC10H18F2O
Molecular Weight192.25 g/mol
Exact Mass192.13
IUPAC Name1-(difluoromethoxy)-4-methylcyclohexane;ethene
SMILESC=C.CC1CCC(OC(F)F)CC1
InChIInChI=1S/C8H14F2O.C2H4/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H2
InChIKeyJQEZMTMLOBXZBO-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.61
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

1-(difluoromethoxy)-4-methylcyclohexane;ethane
CID 142353854
1-methyl-4-[(2R)-3-methylbutan-2-yl]oxycyclohexane
CID 89381859
ethyl 2-fluoro-2-(4-methylcyclohexyl)oxyacetate
CID 79356559
4-[1-(4-methylcyclohexyl)oxyethoxy]cyclohexan-1-amine
CID 160735997
3,3,3-trifluoro-2-(4-methylcyclohexyl)oxypropan-1-amine
CID 43752921
cis-(1R,3S)-3-(difluoromethoxy)cyclopentan-1-amine
CID 124594476
1-(difluoromethoxy)-4-(isocyanomethyl)cyclohexane
CID 84770968
O-(4-methylcyclohexyl)hydroxylamine
CID 22057712
4-(difluoromethoxy)-1-hydroxypiperidine;2-methylpropan-2-ol
CID 145131579
1-heptan-2-yloxy-4-methylcyclohexane
CID 71132789
6-(difluoromethoxy)-1-oxaspiro[2.5]octane
CID 134451755
2-(4-methylcyclohexyl)oxybutanoic acid
CID 43808830

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane;ethene?
The IUPAC name of 1-(difluoromethoxy)-4-methylcyclohexane;ethene (CID 158991402) is 1-(difluoromethoxy)-4-methylcyclohexane;ethene.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylcyclohexane;ethene?
The canonical SMILES for 1-(difluoromethoxy)-4-methylcyclohexane;ethene is C=C.CC1CCC(OC(F)F)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-methylcyclohexane;ethene?
The InChIKey is JQEZMTMLOBXZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O.C2H4/c1-6-2-4-7(5-3-6)11-8(9)10;1-2/h6-8H,2-5H2,1H3;1-2H2.
What are the key properties of 1-(difluoromethoxy)-4-methylcyclohexane;ethene?
1-(difluoromethoxy)-4-methylcyclohexane;ethene has a molecular weight of 192.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylcyclohexane;ethene is sourced from PubChem (CID 158991402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).