(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane

C11H13FO — CID 83128345

IUPAC(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane
SMILESCC(C)(c1ccc(F)cc1)[C@@H]1CO1
InChIInChI=1S/C11H13FO/c1-11(2,10-7-13-10)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyCCDPGQMQJYMABT-JTQLQIEISA-N
MW180.22 g/mol
LogP2.50
Rot. Bonds2

About (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane

(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane (PubChem CID 83128345) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane.

Molecular Properties

Compound Name(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane
PubChem CID83128345
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane
SMILESCC(C)(c1ccc(F)cc1)[C@@H]1CO1
InChIInChI=1S/C11H13FO/c1-11(2,10-7-13-10)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1
InChIKeyCCDPGQMQJYMABT-JTQLQIEISA-N
XLogP2.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane?
The IUPAC name of (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane (CID 83128345) is (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane.
What is the SMILES notation for (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane?
The canonical SMILES for (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane is CC(C)(c1ccc(F)cc1)[C@@H]1CO1.
What is the InChIKey of (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane?
The InChIKey is CCDPGQMQJYMABT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13FO/c1-11(2,10-7-13-10)8-3-5-9(12)6-4-8/h3-6,10H,7H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane?
(2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane has a molecular weight of 180.22 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-fluorophenyl)propan-2-yl]oxirane is sourced from PubChem (CID 83128345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).