3-fluoro-1-methoxy-6-methylcyclohexene

C8H13FO — CID 89143207

IUPAC3-fluoro-1-methoxy-6-methylcyclohexene
SMILESCOC1=CC(F)CCC1C
InChIInChI=1S/C8H13FO/c1-6-3-4-7(9)5-8(6)10-2/h5-7H,3-4H2,1-2H3
InChIKeyGCZFTTNCEFPMGN-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.28
Rot. Bonds1

About 3-fluoro-1-methoxy-6-methylcyclohexene

3-fluoro-1-methoxy-6-methylcyclohexene (PubChem CID 89143207) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-fluoro-1-methoxy-6-methylcyclohexene.

Molecular Properties

Compound Name3-fluoro-1-methoxy-6-methylcyclohexene
PubChem CID89143207
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-fluoro-1-methoxy-6-methylcyclohexene
SMILESCOC1=CC(F)CCC1C
InChIInChI=1S/C8H13FO/c1-6-3-4-7(9)5-8(6)10-2/h5-7H,3-4H2,1-2H3
InChIKeyGCZFTTNCEFPMGN-UHFFFAOYSA-N
XLogP2.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methoxy-6-methylcyclohexene?
The IUPAC name of 3-fluoro-1-methoxy-6-methylcyclohexene (CID 89143207) is 3-fluoro-1-methoxy-6-methylcyclohexene.
What is the SMILES notation for 3-fluoro-1-methoxy-6-methylcyclohexene?
The canonical SMILES for 3-fluoro-1-methoxy-6-methylcyclohexene is COC1=CC(F)CCC1C.
What is the InChIKey of 3-fluoro-1-methoxy-6-methylcyclohexene?
The InChIKey is GCZFTTNCEFPMGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6-3-4-7(9)5-8(6)10-2/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-fluoro-1-methoxy-6-methylcyclohexene?
3-fluoro-1-methoxy-6-methylcyclohexene has a molecular weight of 144.19 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methoxy-6-methylcyclohexene is sourced from PubChem (CID 89143207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).