1-fluoro-4-methoxy-1-methylcyclohexane

C8H15FO — CID 21061082

IUPAC1-fluoro-4-methoxy-1-methylcyclohexane
SMILESCOC1CCC(C)(F)CC1
InChIInChI=1S/C8H15FO/c1-8(9)5-3-7(10-2)4-6-8/h7H,3-6H2,1-2H3
InChIKeyUKIMURCBUOLFGM-UHFFFAOYSA-N
MW146.20 g/mol
LogP2.30
Rot. Bonds1

About 1-fluoro-4-methoxy-1-methylcyclohexane

1-fluoro-4-methoxy-1-methylcyclohexane (PubChem CID 21061082) has the molecular formula C8H15FO and a molecular weight of 146.20 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-1-methylcyclohexane.

Molecular Properties

Compound Name1-fluoro-4-methoxy-1-methylcyclohexane
PubChem CID21061082
Molecular FormulaC8H15FO
Molecular Weight146.20 g/mol
Exact Mass146.11
IUPAC Name1-fluoro-4-methoxy-1-methylcyclohexane
SMILESCOC1CCC(C)(F)CC1
InChIInChI=1S/C8H15FO/c1-8(9)5-3-7(10-2)4-6-8/h7H,3-6H2,1-2H3
InChIKeyUKIMURCBUOLFGM-UHFFFAOYSA-N
XLogP2.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.20
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methoxy-4-methylcyclohexane
CID 6336264
1-Methoxy-4-methyl-d3-benzene
CID 139701
1-(2-Fluoroethyl)-4-methoxycyclohexane
CID 18343975
1-(2-Fluoroethyl)-4-pentoxycyclohexane
CID 18343980
1-(2-Fluoroethyl)-4-propoxycyclohexane
CID 18343982
1-Ethoxy-4-(2-fluoroethyl)cyclohexane
CID 18344106
1-(Difluoromethoxy)-4-methylcyclohexane
CID 18710872
[Fluoro(propan-2-yloxy)methyl]cyclohexane
CID 19850336
1-Fluoro-1-(propan-2-yloxymethyl)cyclohexane
CID 19850338
1-(Fluoromethoxy)-4-propylcyclohexane
CID 20750924
(4-Methylcyclohexyl) hypofluorite
CID 21052183
1-Ethyl-1-fluoro-4-methoxycyclohexane
CID 21061079

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-1-methylcyclohexane?
The IUPAC name of 1-fluoro-4-methoxy-1-methylcyclohexane (CID 21061082) is 1-fluoro-4-methoxy-1-methylcyclohexane.
What is the SMILES notation for 1-fluoro-4-methoxy-1-methylcyclohexane?
The canonical SMILES for 1-fluoro-4-methoxy-1-methylcyclohexane is COC1CCC(C)(F)CC1.
What is the InChIKey of 1-fluoro-4-methoxy-1-methylcyclohexane?
The InChIKey is UKIMURCBUOLFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO/c1-8(9)5-3-7(10-2)4-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 1-fluoro-4-methoxy-1-methylcyclohexane?
1-fluoro-4-methoxy-1-methylcyclohexane has a molecular weight of 146.20 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-1-methylcyclohexane is sourced from PubChem (CID 21061082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).