2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene

C10H14F2O — CID 167026623

IUPAC2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C(C)C)C1F
InChIInChI=1S/C10H14F2O/c1-6(2)7-4-5-8(11)10(13-3)9(7)12/h4-7,9H,1-3H3
InChIKeyLLJUCELCFLJBJP-UHFFFAOYSA-N
MW188.22 g/mol
LogP2.99
Rot. Bonds2

About 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene

2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (PubChem CID 167026623) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.

Molecular Properties

Compound Name2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
PubChem CID167026623
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene
SMILESCOC1=C(F)C=CC(C(C)C)C1F
InChIInChI=1S/C10H14F2O/c1-6(2)7-4-5-8(11)10(13-3)9(7)12/h4-7,9H,1-3H3
InChIKeyLLJUCELCFLJBJP-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(Fluoromethoxy)-4-methylcyclohexene
CID 21337853
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
(5R)-2-fluoro-1-methoxy-5-methylcyclohexa-1,3-diene
CID 66580607
1-Methoxy-2-methyl-5-(trifluoromethyl)cyclohexa-1,3-diene
CID 70262540
1-Fluoro-6-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336640
2-Fluoro-5-(2-methoxypropyl)cyclohexa-1,3-diene
CID 70336642
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
6-(fluoromethyl)-5-[(E)-2-fluoro-3-methylbut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070305
5-[(E)-2-fluoroethenyl]-6-(1-fluoropropyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070306
5-[(E)-2-fluorobut-1-enyl]-6-(fluoromethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070308
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070349
2,6-Difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 71073041

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The IUPAC name of 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene (CID 167026623) is 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene.
What is the SMILES notation for 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The canonical SMILES for 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is COC1=C(F)C=CC(C(C)C)C1F.
What is the InChIKey of 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
The InChIKey is LLJUCELCFLJBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2O/c1-6(2)7-4-5-8(11)10(13-3)9(7)12/h4-7,9H,1-3H3.
What are the key properties of 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene?
2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene has a molecular weight of 188.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-1-methoxy-5-propan-2-ylcyclohexa-1,3-diene is sourced from PubChem (CID 167026623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).