[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol

C9H8F2O2 — CID 10176425

IUPAC[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H8F2O2/c10-6-1-2-7(8(11)3-6)9(4-12)5-13-9/h1-3,12H,4-5H2/t9-/m0/s1
InChIKeyWUSWCTQDBNDGFD-VIFPVBQESA-N
MW186.16 g/mol
LogP1.18
Rot. Bonds2

About [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol

[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol (PubChem CID 10176425) has the molecular formula C9H8F2O2 and a molecular weight of 186.16 g/mol. Its IUPAC name is [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol
PubChem CID10176425
Molecular FormulaC9H8F2O2
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Name[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol
SMILESOC[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C9H8F2O2/c10-6-1-2-7(8(11)3-6)9(4-12)5-13-9/h1-3,12H,4-5H2/t9-/m0/s1
InChIKeyWUSWCTQDBNDGFD-VIFPVBQESA-N
XLogP1.18
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3-Phenyloxiranyl)methanol
CID 89553
3-(Benzyloxy)-1,2-propanediol
CID 98072
3-(Benzyloxy)propane-1,2-diol
CID 6950841
Benzeneethanol, beta-methoxy-
CID 102910
2-(Phenylmethoxy)-1,3-propanediol
CID 203567
(R)-(-)-2-Methoxy-2-phenylethanol
CID 6950345
(2S,3S)-3-Phenyl-2-oxiranemethanol
CID 149229
(2S,3S)-(-)-2,3-Epoxy-2-methyl-3-phenyl-1-propanol
CID 176040
(2S,3S)-(-)-3-Phenylglycidol
CID 188583
2-(Benzyloxy)propan-1-ol
CID 561825
(S)-(+)-2-Methoxy-2-phenylethanol
CID 643318
beta-Ethoxybenzeneethanol
CID 3015860

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol?
The IUPAC name of [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol (CID 10176425) is [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol.
What is the SMILES notation for [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol?
The canonical SMILES for [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol is OC[C@@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol?
The InChIKey is WUSWCTQDBNDGFD-VIFPVBQESA-N. The full InChI is InChI=1S/C9H8F2O2/c10-6-1-2-7(8(11)3-6)9(4-12)5-13-9/h1-3,12H,4-5H2/t9-/m0/s1.
What are the key properties of [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol?
[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol has a molecular weight of 186.16 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]methanol is sourced from PubChem (CID 10176425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).