1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene

C11H17F3O — CID 59938737

IUPAC1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene
SMILESCCCC1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C11H17F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h8H,3-7H2,1-2H3
InChIKeyQFVOHUYXBCEPEZ-UHFFFAOYSA-N
MW222.25 g/mol
LogP4.05
Rot. Bonds4

About 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene

1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene (PubChem CID 59938737) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene
PubChem CID59938737
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene
SMILESCCCC1CCC(C(F)(F)OC)=C(F)C1
InChIInChI=1S/C11H17F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h8H,3-7H2,1-2H3
InChIKeyQFVOHUYXBCEPEZ-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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-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
1-[difluoro(methoxy)methyl]-2-fluoro-4-[(E)-prop-1-enyl]cyclohexene
CID 59938823
1-[Difluoro(methoxy)methyl]-4-prop-1-enylcyclohexene
CID 72601091
1-[Difluoro(methoxy)methyl]-2-fluoro-4-prop-1-enylcyclohexene
CID 72601102
(5R)-2,3,5,6-tetrafluoro-4-(methoxymethyl)-5-methyl-1-(2-methylpropyl)cyclohexa-1,3-diene
CID 156131088

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene (CID 59938737) is 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene is CCCC1CCC(C(F)(F)OC)=C(F)C1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene?
The InChIKey is QFVOHUYXBCEPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-3-4-8-5-6-9(10(12)7-8)11(13,14)15-2/h8H,3-7H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene?
1-[difluoro(methoxy)methyl]-2-fluoro-4-propylcyclohexene has a molecular weight of 222.25 g/mol, XLogP of 4.05, 4 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-propylcyclohexene is sourced from PubChem (CID 59938737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).