(2S)-2-(2,4-difluorophenyl)-2-methyloxirane

C9H8F2O — CID 123185465

IUPAC(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
SMILESC[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H8F2O/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3/t9-/m1/s1
InChIKeyJQVLPAOXALFOPV-SECBINFHSA-N
MW170.16 g/mol
LogP2.21
Rot. Bonds1

About (2S)-2-(2,4-difluorophenyl)-2-methyloxirane

(2S)-2-(2,4-difluorophenyl)-2-methyloxirane (PubChem CID 123185465) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is (2S)-2-(2,4-difluorophenyl)-2-methyloxirane.

Molecular Properties

Compound Name(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
PubChem CID123185465
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
SMILESC[C@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H8F2O/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3/t9-/m1/s1
InChIKeyJQVLPAOXALFOPV-SECBINFHSA-N
XLogP2.21
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 ≤ 52.21
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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Related Compounds

(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
CID 10899632
2-(5-chloro-2-fluorophenyl)-2-methyloxirane
CID 82468551
1-[1-(2,4-difluorophenyl)cyclopropyl]ethanone
CID 83685876
4-(chloromethyl)-4-(2,4-difluorophenyl)-2,2-dimethyl-1,3-dioxolane
CID 22464438
(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
CID 139793678
1-(2,4-difluorophenyl)-2,2-dimethylcyclopropane-1-carbonitrile
CID 116842312
1-[[2-(2,4-difluorophenyl)-3,3-dimethyloxetan-2-yl]methyl]-1,2,4-triazole
CID 15008590
1-[3-(2,4-difluorophenyl)oxetan-3-yl]-N-methylmethanamine
CID 116869258
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
4-(2,4-difluorophenyl)-4-methylpiperidine-2,6-dione
CID 63156404
1-(2,4-difluorophenyl)-N-methylcyclopropan-1-amine
CID 83684038
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-difluorophenyl)-2-methyloxirane?
The IUPAC name of (2S)-2-(2,4-difluorophenyl)-2-methyloxirane (CID 123185465) is (2S)-2-(2,4-difluorophenyl)-2-methyloxirane.
What is the SMILES notation for (2S)-2-(2,4-difluorophenyl)-2-methyloxirane?
The canonical SMILES for (2S)-2-(2,4-difluorophenyl)-2-methyloxirane is C[C@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of (2S)-2-(2,4-difluorophenyl)-2-methyloxirane?
The InChIKey is JQVLPAOXALFOPV-SECBINFHSA-N. The full InChI is InChI=1S/C9H8F2O/c1-9(5-12-9)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-(2,4-difluorophenyl)-2-methyloxirane?
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane has a molecular weight of 170.16 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-difluorophenyl)-2-methyloxirane is sourced from PubChem (CID 123185465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).