4-fluoro-2-(4-methyloxan-4-yl)oxane

C11H19FO2 — CID 123313305

IUPAC4-fluoro-2-(4-methyloxan-4-yl)oxane
SMILESCC1(C2CC(F)CCO2)CCOCC1
InChIInChI=1S/C11H19FO2/c1-11(3-6-13-7-4-11)10-8-9(12)2-5-14-10/h9-10H,2-8H2,1H3
InChIKeyRRKABRNTXNZTQW-UHFFFAOYSA-N
MW202.27 g/mol
LogP2.32
Rot. Bonds1

About 4-fluoro-2-(4-methyloxan-4-yl)oxane

4-fluoro-2-(4-methyloxan-4-yl)oxane (PubChem CID 123313305) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 4-fluoro-2-(4-methyloxan-4-yl)oxane.

Molecular Properties

Compound Name4-fluoro-2-(4-methyloxan-4-yl)oxane
PubChem CID123313305
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name4-fluoro-2-(4-methyloxan-4-yl)oxane
SMILESCC1(C2CC(F)CCO2)CCOCC1
InChIInChI=1S/C11H19FO2/c1-11(3-6-13-7-4-11)10-8-9(12)2-5-14-10/h9-10H,2-8H2,1H3
InChIKeyRRKABRNTXNZTQW-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(4-methyloxan-4-yl)oxane?
The IUPAC name of 4-fluoro-2-(4-methyloxan-4-yl)oxane (CID 123313305) is 4-fluoro-2-(4-methyloxan-4-yl)oxane.
What is the SMILES notation for 4-fluoro-2-(4-methyloxan-4-yl)oxane?
The canonical SMILES for 4-fluoro-2-(4-methyloxan-4-yl)oxane is CC1(C2CC(F)CCO2)CCOCC1.
What is the InChIKey of 4-fluoro-2-(4-methyloxan-4-yl)oxane?
The InChIKey is RRKABRNTXNZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-11(3-6-13-7-4-11)10-8-9(12)2-5-14-10/h9-10H,2-8H2,1H3.
What are the key properties of 4-fluoro-2-(4-methyloxan-4-yl)oxane?
4-fluoro-2-(4-methyloxan-4-yl)oxane has a molecular weight of 202.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(4-methyloxan-4-yl)oxane is sourced from PubChem (CID 123313305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).