(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine

C11H13F2NO — CID 145228395

IUPAC(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
SMILESCCN1CC[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C11H13F2NO/c1-2-14-6-5-11(15-14)8-3-4-9(12)10(13)7-8/h3-4,7,11H,2,5-6H2,1H3/t11-/m0/s1
InChIKeyMBTHANHYCOIQRT-NSHDSACASA-N
MW213.23 g/mol
LogP2.66
Rot. Bonds2

About (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine

(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine (PubChem CID 145228395) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine.

Molecular Properties

Compound Name(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
PubChem CID145228395
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
SMILESCCN1CC[C@@H](c2ccc(F)c(F)c2)O1
InChIInChI=1S/C11H13F2NO/c1-2-14-6-5-11(15-14)8-3-4-9(12)10(13)7-8/h3-4,7,11H,2,5-6H2,1H3/t11-/m0/s1
InChIKeyMBTHANHYCOIQRT-NSHDSACASA-N
XLogP2.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Pyrrolidinebutanol, alpha-(4-fluorophenyl)-
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4,5-bis(4-fluorophenyl)-2-methyl-3H-1,2-oxazole
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2-Methyl-5-phenylisoxazolidine
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5-Phenyl-1,2-oxazolidine
CID 13168130
1-(4-Fluorophenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 9837417
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CID 19438334

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine?
The IUPAC name of (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine (CID 145228395) is (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine.
What is the SMILES notation for (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine?
The canonical SMILES for (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine is CCN1CC[C@@H](c2ccc(F)c(F)c2)O1.
What is the InChIKey of (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine?
The InChIKey is MBTHANHYCOIQRT-NSHDSACASA-N. The full InChI is InChI=1S/C11H13F2NO/c1-2-14-6-5-11(15-14)8-3-4-9(12)10(13)7-8/h3-4,7,11H,2,5-6H2,1H3/t11-/m0/s1.
What are the key properties of (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine?
(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine has a molecular weight of 213.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine is sourced from PubChem (CID 145228395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).