2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene

C16H22F2O2 — CID 134448309

IUPAC2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene
SMILESCOC1=C(F)C(F)=C(OCC2CCC(C)CC2)C=CC1
InChIInChI=1S/C16H22F2O2/c1-11-6-8-12(9-7-11)10-20-14-5-3-4-13(19-2)15(17)16(14)18/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyJYCFAIUJRVBKEI-UHFFFAOYSA-N
MW284.35 g/mol
LogP4.80
Rot. Bonds4

About 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene

2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene (PubChem CID 134448309) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene
PubChem CID134448309
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene
SMILESCOC1=C(F)C(F)=C(OCC2CCC(C)CC2)C=CC1
InChIInChI=1S/C16H22F2O2/c1-11-6-8-12(9-7-11)10-20-14-5-3-4-13(19-2)15(17)16(14)18/h3,5,11-12H,4,6-10H2,1-2H3
InChIKeyJYCFAIUJRVBKEI-UHFFFAOYSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(1E,3E,5Z)-5,6-difluoro-4-propoxyhexa-1,3,5-trienoxy]methyl]-4-(4-ethenylcyclohexyl)cycloheptane
CID 126727504
1-[[(1E,3E,5Z)-5,6-difluoro-4-methoxyhexa-1,3,5-trienoxy]methyl]-4-methylcyclohexane
CID 126727545
1-ethenyl-4-[[(1Z,3Z,5Z)-5-ethoxy-1,6-difluorohexa-1,3,5-trien-2-yl]oxymethyl]cyclohexane
CID 126727546
1-ethenyl-4-[[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienoxy]methyl]cyclohexane
CID 126727553
5,7-Difluoro-4-methoxy-1-[(4-propylcyclohexyl)methoxy]cyclohepta-1,3,5-triene
CID 130435945
1-[[(2E,4Z)-1,6-difluoro-3-methylhepta-2,4,6-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 134447529
1-[[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienoxy]methyl]-4-methylcyclohexane
CID 135161186
1-[[(3Z,5Z)-6-ethoxy-4,5-difluorohexa-1,3,5-trien-3-yl]oxymethyl]-4-methylcyclohexane
CID 135161219
2-(2-Ethylhexoxy)-5,6-bis(fluoromethyl)-5-methoxycyclohexa-1,3-diene
CID 140437635
3-(3-Cyclohexylpropoxy)-1,5-difluoro-6-methylcyclohexa-1,3-diene
CID 141896225
1-[[(3E)-4-fluoro-5-methylhexa-1,3,5-trien-2-yl]oxymethyl]-4-methylcyclohexane
CID 141967579
(3Z)-3,4-difluoro-5-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]hexa-1,3,5-trien-2-ol
CID 142342617

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene?
The IUPAC name of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene (CID 134448309) is 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene.
What is the SMILES notation for 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene?
The canonical SMILES for 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene is COC1=C(F)C(F)=C(OCC2CCC(C)CC2)C=CC1.
What is the InChIKey of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene?
The InChIKey is JYCFAIUJRVBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-11-6-8-12(9-7-11)10-20-14-5-3-4-13(19-2)15(17)16(14)18/h3,5,11-12H,4,6-10H2,1-2H3.
What are the key properties of 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene?
2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene has a molecular weight of 284.35 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-methoxy-4-[(4-methylcyclohexyl)methoxy]cyclohepta-1,3,5-triene is sourced from PubChem (CID 134448309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).