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

C8H13FO2 — CID 72584865

IUPAC4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(F)=CC1COC(C)(C)O1
InChIInChI=1S/C8H13FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h4,7H,5H2,1-3H3
InChIKeyQFZATGVSUPZSRE-UHFFFAOYSA-N
MW160.19 g/mol
LogP2.01
Rot. Bonds1

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

4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 72584865) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID72584865
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(F)=CC1COC(C)(C)O1
InChIInChI=1S/C8H13FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h4,7H,5H2,1-3H3
InChIKeyQFZATGVSUPZSRE-UHFFFAOYSA-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-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane (CID 72584865) is 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane is CC(F)=CC1COC(C)(C)O1.
What is the InChIKey of 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is QFZATGVSUPZSRE-UHFFFAOYSA-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.
What are the key properties of 4-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane?
4-(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-(2-fluoroprop-1-enyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 72584865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).