1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene

C11H15F3O — CID 59938823

IUPAC1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C11H15F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyZAXCHYGETSQOJU-ONEGZZNKSA-N
MW220.23 g/mol
LogP3.83
Rot. Bonds3

About 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene

1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene (PubChem CID 59938823) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
PubChem CID59938823
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
SMILESC/C=C/C1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C11H15F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h3-4,8H,5-7H2,1-2H3/b4-3+
InChIKeyZAXCHYGETSQOJU-ONEGZZNKSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 53.83
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]-4-ethenyl-2-fluorocyclohexene
CID 59938796
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]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene (CID 59938823) is 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene is C/C=C/C1CCC(C(F)(F)OC)=C(F)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene?
The InChIKey is ZAXCHYGETSQOJU-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H15F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h3-4,8H,5-7H2,1-2H3/b4-3+.
What are the key properties of 1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene?
1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene has a molecular weight of 220.23 g/mol, XLogP of 3.83, 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]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene is sourced from PubChem (CID 59938823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).