(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane

C9H8F2O — CID 131874606

IUPAC(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
SMILESC[C@H]1O[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O/c1-5-9(12-5)7-3-2-6(10)4-8(7)11/h2-5,9H,1H3/t5-,9+/m1/s1
InChIKeyBIXARCDUUPFXHX-ANLVUFKYSA-N
MW170.16 g/mol
LogP2.42
Rot. Bonds1

About (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane

(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane (PubChem CID 131874606) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane.

Molecular Properties

Compound Name(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
PubChem CID131874606
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
SMILESC[C@H]1O[C@@H]1c1ccc(F)cc1F
InChIInChI=1S/C9H8F2O/c1-5-9(12-5)7-3-2-6(10)4-8(7)11/h2-5,9H,1H3/t5-,9+/m1/s1
InChIKeyBIXARCDUUPFXHX-ANLVUFKYSA-N
XLogP2.42
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.42
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,3R)-2-(2,4-difluorophenyl)-3-methyloxirane?
The IUPAC name of (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane (CID 131874606) is (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane.
What is the SMILES notation for (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane?
The canonical SMILES for (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane is C[C@H]1O[C@@H]1c1ccc(F)cc1F.
What is the InChIKey of (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane?
The InChIKey is BIXARCDUUPFXHX-ANLVUFKYSA-N. The full InChI is InChI=1S/C9H8F2O/c1-5-9(12-5)7-3-2-6(10)4-8(7)11/h2-5,9H,1H3/t5-,9+/m1/s1.
What are the key properties of (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane?
(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane has a molecular weight of 170.16 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane is sourced from PubChem (CID 131874606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).