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

C11H13FO — CID 102340223

IUPAC(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C11H13FO/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyWETSHHDJVPJDMS-SCZZXKLOSA-N
MW180.22 g/mol
LogP2.72
Rot. Bonds1

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

(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane (PubChem CID 102340223) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane.

Molecular Properties

Compound Name(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane
PubChem CID102340223
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane
SMILESC[C@@H]1C[C@H](c2ccc(F)cc2)CO1
InChIInChI=1S/C11H13FO/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m1/s1
InChIKeyWETSHHDJVPJDMS-SCZZXKLOSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane?
The IUPAC name of (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane (CID 102340223) is (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane.
What is the SMILES notation for (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane?
The canonical SMILES for (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane is C[C@@H]1C[C@H](c2ccc(F)cc2)CO1.
What is the InChIKey of (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane?
The InChIKey is WETSHHDJVPJDMS-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H13FO/c1-8-6-10(7-13-8)9-2-4-11(12)5-3-9/h2-5,8,10H,6-7H2,1H3/t8-,10+/m1/s1.
What are the key properties of (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane?
(2R,4R)-4-(4-fluorophenyl)-2-methyloxolane has a molecular weight of 180.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(4-fluorophenyl)-2-methyloxolane is sourced from PubChem (CID 102340223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).