1-[difluoro(methoxy)methyl]-4-methylcyclohexene

C9H14F2O — CID 59938735

IUPAC1-[difluoro(methoxy)methyl]-4-methylcyclohexene
SMILESCOC(F)(F)C1=CCC(C)CC1
InChIInChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h5,7H,3-4,6H2,1-2H3
InChIKeyTYMTVYPPDKRRIQ-UHFFFAOYSA-N
MW176.21 g/mol
LogP2.97
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]-4-methylcyclohexene

1-[difluoro(methoxy)methyl]-4-methylcyclohexene (PubChem CID 59938735) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-methylcyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-methylcyclohexene
PubChem CID59938735
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name1-[difluoro(methoxy)methyl]-4-methylcyclohexene
SMILESCOC(F)(F)C1=CCC(C)CC1
InChIInChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h5,7H,3-4,6H2,1-2H3
InChIKeyTYMTVYPPDKRRIQ-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.97
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-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
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-methylcyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-methylcyclohexene (CID 59938735) is 1-[difluoro(methoxy)methyl]-4-methylcyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-methylcyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-methylcyclohexene is COC(F)(F)C1=CCC(C)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-methylcyclohexene?
The InChIKey is TYMTVYPPDKRRIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2O/c1-7-3-5-8(6-4-7)9(10,11)12-2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-methylcyclohexene?
1-[difluoro(methoxy)methyl]-4-methylcyclohexene has a molecular weight of 176.21 g/mol, XLogP of 2.97, 2 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-methylcyclohexene is sourced from PubChem (CID 59938735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).