1-(fluoromethoxy)-4-methylcyclohexene

C8H13FO — CID 21337853

IUPAC1-(fluoromethoxy)-4-methylcyclohexene
SMILESCC1CC=C(OCF)CC1
InChIInChI=1S/C8H13FO/c1-7-2-4-8(5-3-7)10-6-9/h4,7H,2-3,5-6H2,1H3
InChIKeyYQGYNDUUHGRGGM-UHFFFAOYSA-N
MW144.19 g/mol
LogP2.63
Rot. Bonds2

About 1-(fluoromethoxy)-4-methylcyclohexene

1-(fluoromethoxy)-4-methylcyclohexene (PubChem CID 21337853) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 1-(fluoromethoxy)-4-methylcyclohexene.

Molecular Properties

Compound Name1-(fluoromethoxy)-4-methylcyclohexene
PubChem CID21337853
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name1-(fluoromethoxy)-4-methylcyclohexene
SMILESCC1CC=C(OCF)CC1
InChIInChI=1S/C8H13FO/c1-7-2-4-8(5-3-7)10-6-9/h4,7H,2-3,5-6H2,1H3
InChIKeyYQGYNDUUHGRGGM-UHFFFAOYSA-N
XLogP2.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(2.2.1)hept-2-ene, 2-methoxy-
CID 140198
6-Fluoro-1-methoxycyclohex-1-ene
CID 13665109
2-Methoxy-3-methylcyclohexene
CID 519381
Cyclohexene, 4-(1,1-dimethylethyl)-1-methoxy-
CID 10975890
2-Fluoro-1-methoxy-4-methylcyclohexene
CID 53879972
1-Methoxy-4-(trifluoromethyl)cyclohexene
CID 60006520
1,3-Difluoro-5-(5-methylcyclohexen-1-yl)oxycyclohexene
CID 69627240
(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
2,6-Difluoro-1-methoxy-5-methyl-4-propan-2-ylcyclohexa-1,3-diene
CID 71073041
(6S)-6-fluoro-1-methoxycyclohexene
CID 89044719
3-Fluoro-1-methoxy-6-methylcyclohexene
CID 89143207
2-Fluoro-3-iodo-1-methoxy-5-methylcyclohexene
CID 117881834

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-4-methylcyclohexene?
The IUPAC name of 1-(fluoromethoxy)-4-methylcyclohexene (CID 21337853) is 1-(fluoromethoxy)-4-methylcyclohexene.
What is the SMILES notation for 1-(fluoromethoxy)-4-methylcyclohexene?
The canonical SMILES for 1-(fluoromethoxy)-4-methylcyclohexene is CC1CC=C(OCF)CC1.
What is the InChIKey of 1-(fluoromethoxy)-4-methylcyclohexene?
The InChIKey is YQGYNDUUHGRGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-7-2-4-8(5-3-7)10-6-9/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(fluoromethoxy)-4-methylcyclohexene?
1-(fluoromethoxy)-4-methylcyclohexene has a molecular weight of 144.19 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-4-methylcyclohexene is sourced from PubChem (CID 21337853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).