1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane

C10H16F2O — CID 89186170

IUPAC1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane
SMILESCOC/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyAYPJMKPPQRZBGN-NSCUHMNNSA-N
MW190.23 g/mol
LogP3.01
Rot. Bonds3

About 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane

1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane (PubChem CID 89186170) has the molecular formula C10H16F2O and a molecular weight of 190.23 g/mol. Its IUPAC name is 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane.

Molecular Properties

Compound Name1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane
PubChem CID89186170
Molecular FormulaC10H16F2O
Molecular Weight190.23 g/mol
Exact Mass190.12
IUPAC Name1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane
SMILESCOC/C=C/C1CCC(F)(F)CC1
InChIInChI=1S/C10H16F2O/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h2-3,9H,4-8H2,1H3/b3-2+
InChIKeyAYPJMKPPQRZBGN-NSCUHMNNSA-N
XLogP3.01
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 ≤ 53.01
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

[(E)-3-ethoxyprop-1-enyl]cyclohexane
CID 5358350
(6E)-3,7-dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 121015261
1-Methyl-4-[4-(trifluoromethyl)cyclopent-2-en-1-yl]oxycyclohexane
CID 141835969
3-Methyl-6-[4-(trifluoromethyl)cyclohexyl]oxycyclohexene
CID 141835973
1-[(3E,5E)-7,7-difluoro-7-methoxyhepta-1,3,5-trien-3-yl]-4-methylcyclohexane
CID 143266158
[(E)-6-(trifluoromethyl)non-2-en-4-yl]oxycyclohexane
CID 163919147
3-Methoxybut-1-enylcyclohexane
CID 156633840
(E)-9-deuterio-7-(deuteriomethyl)-1-methoxynon-2-ene
CID 13315716
3,7-Dimethyl-8-(2,2,2-trifluoroethoxy)octa-1,6-diene
CID 131885977
(3R)-5-methyl-3-(trifluoromethoxy)cyclohexene
CID 162593051
(Z)-5-ethyl-1-(trifluoromethoxy)hept-2-ene
CID 162618438
[(Z)-3-ethoxyprop-1-enyl]cyclohexane
CID 90473396

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane?
The IUPAC name of 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane (CID 89186170) is 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane.
What is the SMILES notation for 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane?
The canonical SMILES for 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane is COC/C=C/C1CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane?
The InChIKey is AYPJMKPPQRZBGN-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H16F2O/c1-13-8-2-3-9-4-6-10(11,12)7-5-9/h2-3,9H,4-8H2,1H3/b3-2+.
What are the key properties of 1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane?
1,1-difluoro-4-[(E)-3-methoxyprop-1-enyl]cyclohexane has a molecular weight of 190.23 g/mol, XLogP of 3.01, 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-[(E)-3-methoxyprop-1-enyl]cyclohexane is sourced from PubChem (CID 89186170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).