2-fluoro-1,1-dimethoxy-3-methylbut-2-ene

C7H13FO2 — CID 14191086

IUPAC2-fluoro-1,1-dimethoxy-3-methylbut-2-ene
SMILESCOC(OC)C(F)=C(C)C
InChIInChI=1S/C7H13FO2/c1-5(2)6(8)7(9-3)10-4/h7H,1-4H3
InChIKeyFXBSNVJXMXJYHP-UHFFFAOYSA-N
MW148.18 g/mol
LogP1.87
Rot. Bonds3

About 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene

2-fluoro-1,1-dimethoxy-3-methylbut-2-ene (PubChem CID 14191086) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene.

Molecular Properties

Compound Name2-fluoro-1,1-dimethoxy-3-methylbut-2-ene
PubChem CID14191086
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-fluoro-1,1-dimethoxy-3-methylbut-2-ene
SMILESCOC(OC)C(F)=C(C)C
InChIInChI=1S/C7H13FO2/c1-5(2)6(8)7(9-3)10-4/h7H,1-4H3
InChIKeyFXBSNVJXMXJYHP-UHFFFAOYSA-N
XLogP1.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene?
The IUPAC name of 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene (CID 14191086) is 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene.
What is the SMILES notation for 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene?
The canonical SMILES for 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene is COC(OC)C(F)=C(C)C.
What is the InChIKey of 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene?
The InChIKey is FXBSNVJXMXJYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c1-5(2)6(8)7(9-3)10-4/h7H,1-4H3.
What are the key properties of 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene?
2-fluoro-1,1-dimethoxy-3-methylbut-2-ene has a molecular weight of 148.18 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,1-dimethoxy-3-methylbut-2-ene is sourced from PubChem (CID 14191086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).