1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane

C10H16F2O — CID 122552816

IUPAC1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane
SMILESC=CCC1(OC)CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-3-4-9(13-2)5-7-10(11,12)8-6-9/h3H,1,4-8H2,2H3
InChIKeyODFRWHWRJSVSFH-UHFFFAOYSA-N
MW190.23 g/mol
LogP3.16
Rot. Bonds3

About 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane

1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane (PubChem CID 122552816) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane
PubChem CID122552816
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane
SMILESC=CCC1(OC)CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-3-4-9(13-2)5-7-10(11,12)8-6-9/h3H,1,4-8H2,2H3
InChIKeyODFRWHWRJSVSFH-UHFFFAOYSA-N
XLogP3.16
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 ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane?
The IUPAC name of 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane (CID 122552816) is 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane.
What is the SMILES notation for 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane?
The canonical SMILES for 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane is C=CCC1(OC)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane?
The InChIKey is ODFRWHWRJSVSFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2O/c1-3-4-9(13-2)5-7-10(11,12)8-6-9/h3H,1,4-8H2,2H3.
What are the key properties of 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane?
1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane has a molecular weight of 190.23 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-4-prop-2-enylcyclohexane is sourced from PubChem (CID 122552816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).