2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane

C10H15FO2 — CID 147866924

IUPAC2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(C2CC=C(F)CC2)OCCO1
InChIInChI=1S/C10H15FO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h4,8H,2-3,5-7H2,1H3
InChIKeyHXVPSQHDJLPZFO-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.40
Rot. Bonds1

About 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane

2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane (PubChem CID 147866924) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
PubChem CID147866924
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Name2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane
SMILESCC1(C2CC=C(F)CC2)OCCO1
InChIInChI=1S/C10H15FO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h4,8H,2-3,5-7H2,1H3
InChIKeyHXVPSQHDJLPZFO-UHFFFAOYSA-N
XLogP2.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The IUPAC name of 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane (CID 147866924) is 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane is CC1(C2CC=C(F)CC2)OCCO1.
What is the InChIKey of 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
The InChIKey is HXVPSQHDJLPZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FO2/c1-10(12-6-7-13-10)8-2-4-9(11)5-3-8/h4,8H,2-3,5-7H2,1H3.
What are the key properties of 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane?
2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane has a molecular weight of 186.23 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohex-3-en-1-yl)-2-methyl-1,3-dioxolane is sourced from PubChem (CID 147866924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).