1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene

C10H13F3O — CID 59938796

IUPAC1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene
SMILESC=CC1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C10H13F3O/c1-3-7-4-5-8(9(11)6-7)10(12,13)14-2/h3,7H,1,4-6H2,2H3
InChIKeyVOQLMFIEFFKQHY-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.44
Rot. Bonds3

About 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene

1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene (PubChem CID 59938796) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene
PubChem CID59938796
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene
SMILESC=CC1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C10H13F3O/c1-3-7-4-5-8(9(11)6-7)10(12,13)14-2/h3,7H,1,4-6H2,2H3
InChIKeyVOQLMFIEFFKQHY-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.44
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-[Difluoro(methoxy)methyl]-2-fluoro-4-methylcyclohexene
CID 59938734
1-[Difluoro(methoxy)methyl]-4-methylcyclohexene
CID 59938735
1-[Difluoro(methoxy)methyl]-4-propylcyclohexene
CID 59938736
1-[Difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene
CID 59938737
1-[Difluoro(methoxy)methyl]-2-fluoro-4-pentylcyclohexene
CID 59938743
1-[Difluoro(methoxy)methyl]-4-ethenylcyclohexene
CID 59938757
1-[difluoro(methoxy)methyl]-4-[(E)-prop-1-enyl]cyclohexene
CID 59938786
4-But-3-enyl-1-[difluoro(methoxy)methyl]-2-fluorocyclohexene
CID 59938789
1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
CID 59938823
5-Fluoro-1-(methoxymethyl)-4-propan-2-ylcyclohexene
CID 68340692
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexene
CID 72601091
1-[Difluoro(methoxy)methyl]-2-fluoro-4-prop-1-enylcyclohexene
CID 72601102

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene (CID 59938796) is 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene is C=CC1CCC(C(F)(F)OC)=C(F)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene?
The InChIKey is VOQLMFIEFFKQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-3-7-4-5-8(9(11)6-7)10(12,13)14-2/h3,7H,1,4-6H2,2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene?
1-[difluoro(methoxy)methyl]-4-ethenyl-2-fluorocyclohexene has a molecular weight of 206.21 g/mol, XLogP of 3.44, 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-ethenyl-2-fluorocyclohexene is sourced from PubChem (CID 59938796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).