5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

C8H11FO2 — CID 91314622

IUPAC5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C=C(F)CC2O1
InChIInChI=1S/C8H11FO2/c1-8(2)10-6-3-5(9)4-7(6)11-8/h3,6-7H,4H2,1-2H3
InChIKeyKCYMOSYZBYPTSQ-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.76
Rot. Bonds

About 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole

5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (PubChem CID 91314622) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.

Molecular Properties

Compound Name5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
PubChem CID91314622
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Name5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole
SMILESCC1(C)OC2C=C(F)CC2O1
InChIInChI=1S/C8H11FO2/c1-8(2)10-6-3-5(9)4-7(6)11-8/h3,6-7H,4H2,1-2H3
InChIKeyKCYMOSYZBYPTSQ-UHFFFAOYSA-N
XLogP1.76
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The IUPAC name of 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole (CID 91314622) is 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole.
What is the SMILES notation for 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The canonical SMILES for 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is CC1(C)OC2C=C(F)CC2O1.
What is the InChIKey of 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
The InChIKey is KCYMOSYZBYPTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-8(2)10-6-3-5(9)4-7(6)11-8/h3,6-7H,4H2,1-2H3.
What are the key properties of 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole?
5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole has a molecular weight of 158.17 g/mol, XLogP of 1.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxole is sourced from PubChem (CID 91314622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).