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

C11H18F2O — CID 59938736

IUPAC1-[difluoro(methoxy)methyl]-4-propylcyclohexene
SMILESCCCC1CC=C(C(F)(F)OC)CC1
InChIInChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h7,9H,3-6,8H2,1-2H3
InChIKeyVTLBQMKQOANNMB-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.75
Rot. Bonds4

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

1-[difluoro(methoxy)methyl]-4-propylcyclohexene (PubChem CID 59938736) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]-4-propylcyclohexene.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]-4-propylcyclohexene
PubChem CID59938736
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-[difluoro(methoxy)methyl]-4-propylcyclohexene
SMILESCCCC1CC=C(C(F)(F)OC)CC1
InChIInChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h7,9H,3-6,8H2,1-2H3
InChIKeyVTLBQMKQOANNMB-UHFFFAOYSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.75
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-(1-Methoxy-1-methylethyl)-4-methyl-1-cyclohexene
CID 377296
6,6-Difluoro-5-methyl-2-[2-(4-methylcyclohex-3-en-1-yl)ethyl]-2,3-dihydropyran
CID 54054039
6,6-Difluoro-5-methyl-2-(4-methylcyclohexyl)-2,3-dihydropyran
CID 54327007
1-[Difluoro(methoxy)methyl]-2-fluoro-4-methylcyclohexene
CID 59938734
1-[Difluoro(methoxy)methyl]-4-methylcyclohexene
CID 59938735
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

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]-4-propylcyclohexene?
The IUPAC name of 1-[difluoro(methoxy)methyl]-4-propylcyclohexene (CID 59938736) is 1-[difluoro(methoxy)methyl]-4-propylcyclohexene.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]-4-propylcyclohexene?
The canonical SMILES for 1-[difluoro(methoxy)methyl]-4-propylcyclohexene is CCCC1CC=C(C(F)(F)OC)CC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]-4-propylcyclohexene?
The InChIKey is VTLBQMKQOANNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-3-4-9-5-7-10(8-6-9)11(12,13)14-2/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 1-[difluoro(methoxy)methyl]-4-propylcyclohexene?
1-[difluoro(methoxy)methyl]-4-propylcyclohexene has a molecular weight of 204.26 g/mol, XLogP of 3.75, 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]-4-propylcyclohexene is sourced from PubChem (CID 59938736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).