(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol

C11H12F2O2 — CID 139793678

IUPAC(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H12F2O2/c1-7(5-14)11(6-15-11)9-3-2-8(12)4-10(9)13/h2-4,7,14H,5-6H2,1H3/t7-,11+/m0/s1
InChIKeyIQKNANGRXROSMT-WRWORJQWSA-N
MW214.21 g/mol
LogP1.82
Rot. Bonds3

About (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol

(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol (PubChem CID 139793678) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
PubChem CID139793678
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol
SMILESC[C@@H](CO)[C@@]1(c2ccc(F)cc2F)CO1
InChIInChI=1S/C11H12F2O2/c1-7(5-14)11(6-15-11)9-3-2-8(12)4-10(9)13/h2-4,7,14H,5-6H2,1H3/t7-,11+/m0/s1
InChIKeyIQKNANGRXROSMT-WRWORJQWSA-N
XLogP1.82
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 51.82
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

(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethanol
CID 10899632
[(1S)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl] trifluoromethanesulfonate
CID 10758948
(2S)-2-(2,4-difluorophenyl)-2-methyloxirane
CID 123185465
[3-(2,4-difluorophenyl)oxetan-3-yl]methanol
CID 116829723
tert-butyl N-amino-N-[(1R)-1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]carbamate
CID 87913415
2-[(1S)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethoxy]oxane
CID 10085270
1-[(1R)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-4-(4-fluorophenyl)tetrazol-5-one
CID 10737333
6-fluorospiro[1,2-dihydroindene-3,2'-oxirane]
CID 116532256
2-[(1R)-1-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]ethyl]-4-(3-methylbutyl)-1,2,4-triazol-3-one
CID 18657633
[(1R)-1-[2-(2,5-difluorophenyl)oxiran-2-yl]ethoxy]phosphane
CID 59970524
(4S)-4-benzyl-3-[(2R)-2-[(2S)-2-(2,4-difluorophenyl)oxiran-2-yl]propanoyl]-1,3-oxazolidin-2-one
CID 10000267
N-[[1-(2,4-difluorophenyl)-3,3-dimethylcyclobutyl]methyl]propan-2-amine
CID 64999494

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol?
The IUPAC name of (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol (CID 139793678) is (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol is C[C@@H](CO)[C@@]1(c2ccc(F)cc2F)CO1.
What is the InChIKey of (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol?
The InChIKey is IQKNANGRXROSMT-WRWORJQWSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(5-14)11(6-15-11)9-3-2-8(12)4-10(9)13/h2-4,7,14H,5-6H2,1H3/t7-,11+/m0/s1.
What are the key properties of (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol?
(2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol has a molecular weight of 214.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]propan-1-ol is sourced from PubChem (CID 139793678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).