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

C11H18F2O — CID 122552776

IUPAC1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCC)CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-8-11(12,13)9-7-10/h3H,1,4-9H2,2H3
InChIKeyNYQYFVKMFWACDX-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.55
Rot. Bonds4

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

1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane (PubChem CID 122552776) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
PubChem CID122552776
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
SMILESC=CCC1(OCC)CCC(F)(F)CC1
InChIInChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-8-11(12,13)9-7-10/h3H,1,4-9H2,2H3
InChIKeyNYQYFVKMFWACDX-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Allyl-1-methoxy-cyclohexane
CID 10964733
[But-3-enoxy(difluoro)methyl]cyclohexane
CID 176426580
2,3-Difluoro-1-methyl-4-pent-4-enoxycyclohexane
CID 68216997
1,1-Difluoro-4-methoxy-4-prop-2-enylcyclohexane
CID 122552816
3-(2-Ethoxypent-4-enyl)-1,1-difluorocyclobutane
CID 129304625
1-(1,1-Difluoroethoxy)-4-ethenylcyclohexane
CID 138493518
1-But-3-enoxy-2,3-difluoro-4-methylcyclohexane
CID 166573178
1-(2,2-Difluorobut-3-enyl)-4-propan-2-yloxycyclohexane
CID 170569334
5-[(2-Methylpropan-2-yl)oxymethyl]oct-1-ene;1,1,1-trifluoropropane
CID 176970774
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

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane?
The IUPAC name of 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane (CID 122552776) is 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane.
What is the SMILES notation for 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane?
The canonical SMILES for 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane is C=CCC1(OCC)CCC(F)(F)CC1.
What is the InChIKey of 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane?
The InChIKey is NYQYFVKMFWACDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-3-5-10(14-4-2)6-8-11(12,13)9-7-10/h3H,1,4-9H2,2H3.
What are the key properties of 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane?
1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane has a molecular weight of 204.26 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane is sourced from PubChem (CID 122552776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).