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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Related Compounds

1-Allyl-1-methoxy-cyclohexane
CID 10964733
4,4-Difluoro-1-(prop-2-en-1-yl)cyclohexan-1-ol
CID 122552753
1-Ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
CID 122552776
1-Ethenoxy-1-prop-2-enylcyclohexane
CID 11535617
1-Hexoxy-1-prop-2-enylcyclohexane
CID 15174031
cis-(1S,2S)-2-fluoro-1-methoxy-1-prop-2-enylcyclohexane
CID 11622414
1-(But-3-en-1-yl)-4,4-difluorocyclohexan-1-ol
CID 155822442
1-But-3-enoxy-1-but-3-enylcyclohexane
CID 57162118
1-[(E)-but-2-enyl]-1-methoxycyclohexane
CID 89190154
1-Butoxy-1-prop-2-enylcyclohexane
CID 117663105
1-But-3-enyl-1-methoxycyclohexane
CID 144010909
1-But-3-en-2-yl-1-methoxycyclohexane
CID 10397197

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).