2-Fluoro-4-methoxy-1-methylidenecyclohexane

C8H13FO — CID 90976132

IUPAC2-fluoro-4-methoxy-1-methylidenecyclohexane
SMILESCOC1CCC(=C)C(C1)F
InChIInChI=1S/C8H13FO/c1-6-3-4-7(10-2)5-8(6)9/h7-8H,1,3-5H2,2H3
InChIKeyQRKOPWIYIACGJM-UHFFFAOYSA-N
MW144.19 g/mol
LogP1.50
Rot. Bonds1

About 2-Fluoro-4-methoxy-1-methylidenecyclohexane

2-Fluoro-4-methoxy-1-methylidenecyclohexane (PubChem CID 90976132) has the molecular formula C8H13FO and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-fluoro-4-methoxy-1-methylidenecyclohexane.

Molecular Properties

Compound Name2-Fluoro-4-methoxy-1-methylidenecyclohexane
PubChem CID90976132
Molecular FormulaC8H13FO
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name2-fluoro-4-methoxy-1-methylidenecyclohexane
SMILESCOC1CCC(=C)C(C1)F
InChIInChI=1S/C8H13FO/c1-6-3-4-7(10-2)5-8(6)9/h7-8H,1,3-5H2,2H3
InChIKeyQRKOPWIYIACGJM-UHFFFAOYSA-N
XLogP1.50
TPSA9.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity133

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohexanol, 1-methoxy-3-methylene-, (+-)-
CID 145304
1-Methylidene-3-(trifluoromethoxy)cyclohexane
CID 90701572
2-Fluoro-1-methoxy-3-methylidenecyclohexane
CID 90760716
1-Fluoro-3-methoxy-2-methylidenecyclohexane
CID 90936279
1-Methylene-4-(trifluoromethoxy)cyclohexane
CID 91181536
1-Fluoro-3-methoxy-5-methylidenecyclohexane
CID 91244013
1-Ethoxy-2-fluoro-4-methylidenecyclohexane
CID 91248539
2-Fluoro-1-methoxy-4-methylidenecyclohexane
CID 91250832
1-Ethoxy-4-fluoro-2-methylidenecyclohexane
CID 91268962
1-(Difluoromethoxy)-4-methylidenecyclohexane
CID 91269689
4-Fluoro-2-methoxy-1-methylidenecyclohexane
CID 91380466
1-Methylidene-2-(trifluoromethoxy)cyclohexane
CID 91431393

Frequently Asked Questions

What is the IUPAC name of 2-Fluoro-4-methoxy-1-methylidenecyclohexane?
The IUPAC name of 2-Fluoro-4-methoxy-1-methylidenecyclohexane (CID 90976132) is 2-fluoro-4-methoxy-1-methylidenecyclohexane.
What is the SMILES notation for 2-Fluoro-4-methoxy-1-methylidenecyclohexane?
The canonical SMILES for 2-Fluoro-4-methoxy-1-methylidenecyclohexane is COC1CCC(=C)C(C1)F.
What is the InChIKey of 2-Fluoro-4-methoxy-1-methylidenecyclohexane?
The InChIKey is QRKOPWIYIACGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO/c1-6-3-4-7(10-2)5-8(6)9/h7-8H,1,3-5H2,2H3.
What are the key properties of 2-Fluoro-4-methoxy-1-methylidenecyclohexane?
2-Fluoro-4-methoxy-1-methylidenecyclohexane has a molecular weight of 144.19 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Fluoro-4-methoxy-1-methylidenecyclohexane is sourced from PubChem (CID 90976132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).