4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane

C8H15FO2 — CID 129098114

IUPAC4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(F)CC1COC(C)(C)O1
InChIInChI=1S/C8H15FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h6-7H,4-5H2,1-3H3
InChIKeySBSJUKSQJJXMIQ-UHFFFAOYSA-N
MW162.20 g/mol
LogP1.89
Rot. Bonds2

About 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane

4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane (PubChem CID 129098114) has the molecular formula C8H15FO2 and a molecular weight of 162.20 g/mol. Its IUPAC name is 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane
PubChem CID129098114
Molecular FormulaC8H15FO2
Molecular Weight162.20 g/mol
Exact Mass162.11
IUPAC Name4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane
SMILESCC(F)CC1COC(C)(C)O1
InChIInChI=1S/C8H15FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h6-7H,4-5H2,1-3H3
InChIKeySBSJUKSQJJXMIQ-UHFFFAOYSA-N
XLogP1.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane (CID 129098114) is 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane is CC(F)CC1COC(C)(C)O1.
What is the InChIKey of 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane?
The InChIKey is SBSJUKSQJJXMIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FO2/c1-6(9)4-7-5-10-8(2,3)11-7/h6-7H,4-5H2,1-3H3.
What are the key properties of 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane?
4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane has a molecular weight of 162.20 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 129098114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).