4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane

C8H13FO2 — CID 59875112

IUPAC4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC/C(F)=C\C1COC(C)(C)O1
InChIInChI=1S/C8H13FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h4,7H,5H2,1-3H3/b6-4+
InChIKeyQFZATGVSUPZSRE-GQCTYLIASA-N
MW160.19 g/mol
LogP2.01
Rot. Bonds1

About 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane

4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (PubChem CID 59875112) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
PubChem CID59875112
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane
SMILESC/C(F)=C\C1COC(C)(C)O1
InChIInChI=1S/C8H13FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h4,7H,5H2,1-3H3/b6-4+
InChIKeyQFZATGVSUPZSRE-GQCTYLIASA-N
XLogP2.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane (CID 59875112) is 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is C/C(F)=C\C1COC(C)(C)O1.
What is the InChIKey of 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QFZATGVSUPZSRE-GQCTYLIASA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h4,7H,5H2,1-3H3/b6-4+.
What are the key properties of 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane?
4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane has a molecular weight of 160.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-fluoroprop-1-enyl]-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 59875112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).