1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane

C10H16F2O — CID 20705631

IUPAC1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane
SMILESC=CC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)10(11,12)13-2/h3,8-9H,1,4-7H2,2H3
InChIKeySADKZRSBTVZOFT-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.22
Rot. Bonds3

About 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane

1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane (PubChem CID 20705631) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane
PubChem CID20705631
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane
SMILESC=CC1CCC(C(F)(F)OC)CC1
InChIInChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)10(11,12)13-2/h3,8-9H,1,4-7H2,2H3
InChIKeySADKZRSBTVZOFT-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 53.22
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

[But-3-enoxy(difluoro)methyl]cyclohexane
CID 176426580
1-But-3-enyl-4-[difluoro(methoxy)methyl]cyclohexane
CID 20705554
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexane
CID 58719042
1-[difluoro(methoxy)methyl]-4-[(E)-pent-3-enyl]cyclohexane
CID 59938739
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexane
CID 72400498
1-[Difluoro(methoxy)methyl]-4-pent-3-enylcyclohexane
CID 72601078
1-But-3-enyl-3-(trifluoromethoxy)cyclohexane
CID 91116227
1-(2-Methylprop-2-enyl)-4-(trifluoromethoxymethyl)cyclohexane
CID 91581767
1-[Difluoro(6-methylheptan-3-yloxy)methyl]-4-ethenylcyclohexane
CID 138493531
1-[2,2-Difluoro-2-[(4-methylcyclohexyl)methoxy]ethyl]-4-ethenylcyclohexane
CID 141596867
1-(Ethenoxymethyl)-4-ethenylcyclohexane
CID 140134739
1-Ethenyl-4-(methoxymethyl)cyclohexane
CID 11137379

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane (CID 20705631) is 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane is C=CC1CCC(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane?
The InChIKey is SADKZRSBTVZOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-8-4-6-9(7-5-8)10(11,12)13-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane?
1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane has a molecular weight of 190.23 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]-4-ethenylcyclohexane is sourced from PubChem (CID 20705631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).