2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane

C10H17FO2 — CID 122448197

IUPAC2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane
SMILESCC1([C@@H]2CCCCC2F)OCCO1
InChIInChI=1S/C10H17FO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8-9H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyOOEPMLSWPYRPNT-VEDVMXKPSA-N
MW188.24 g/mol
LogP2.28
Rot. Bonds1

About 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane

2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane (PubChem CID 122448197) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane
PubChem CID122448197
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane
SMILESCC1([C@@H]2CCCCC2F)OCCO1
InChIInChI=1S/C10H17FO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8-9H,2-7H2,1H3/t8-,9?/m1/s1
InChIKeyOOEPMLSWPYRPNT-VEDVMXKPSA-N
XLogP2.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane (CID 122448197) is 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane is CC1([C@@H]2CCCCC2F)OCCO1.
What is the InChIKey of 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane?
The InChIKey is OOEPMLSWPYRPNT-VEDVMXKPSA-N. The full InChI is InChI=1S/C10H17FO2/c1-10(12-6-7-13-10)8-4-2-3-5-9(8)11/h8-9H,2-7H2,1H3/t8-,9?/m1/s1.
What are the key properties of 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane?
2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane has a molecular weight of 188.24 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-fluorocyclohexyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 122448197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).