(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane

C11H13FO — CID 102340219

IUPAC(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane
SMILESC[C@@H]1CC[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H13FO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7H2,1H3/t8-,11-/m1/s1
InChIKeyADAVQTSUAADLSX-LDYMZIIASA-N
MW180.22 g/mol
LogP3.07
Rot. Bonds1

About (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane

(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane (PubChem CID 102340219) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane.

Molecular Properties

Compound Name(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane
PubChem CID102340219
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane
SMILESC[C@@H]1CC[C@H](c2ccc(F)cc2)O1
InChIInChI=1S/C11H13FO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7H2,1H3/t8-,11-/m1/s1
InChIKeyADAVQTSUAADLSX-LDYMZIIASA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
1-Phenylethyl Acetate
CID 62341
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
Benzyl methyl ether
CID 10869
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
1-Phenylpropyl acetate
CID 101134
Allyl benzyl ether
CID 84542
1,3-Dihydroisobenzofuran
CID 10327
2-Methyl-2-phenyloxirane
CID 16398

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane?
The IUPAC name of (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane (CID 102340219) is (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane.
What is the SMILES notation for (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane?
The canonical SMILES for (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane is C[C@@H]1CC[C@H](c2ccc(F)cc2)O1.
What is the InChIKey of (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane?
The InChIKey is ADAVQTSUAADLSX-LDYMZIIASA-N. The full InChI is InChI=1S/C11H13FO/c1-8-2-7-11(13-8)9-3-5-10(12)6-4-9/h3-6,8,11H,2,7H2,1H3/t8-,11-/m1/s1.
What are the key properties of (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane?
(2R,5R)-2-(4-fluorophenyl)-5-methyloxolane has a molecular weight of 180.22 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-(4-fluorophenyl)-5-methyloxolane is sourced from PubChem (CID 102340219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).