6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one

C10H7F2NO2 — CID 59401394

IUPAC6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
SMILESO=C1NC2Cc3cc(F)c(F)cc3C2O1
InChIInChI=1S/C10H7F2NO2/c11-6-1-4-2-8-9(15-10(14)13-8)5(4)3-7(6)12/h1,3,8-9H,2H2,(H,13,14)
InChIKeyCEIIGJIKMJUTMM-UHFFFAOYSA-N
MW211.17 g/mol
LogP1.67
Rot. Bonds

About 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one

6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one (PubChem CID 59401394) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
PubChem CID59401394
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one
SMILESO=C1NC2Cc3cc(F)c(F)cc3C2O1
InChIInChI=1S/C10H7F2NO2/c11-6-1-4-2-8-9(15-10(14)13-8)5(4)3-7(6)12/h1,3,8-9H,2H2,(H,13,14)
InChIKeyCEIIGJIKMJUTMM-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3aS-cis)-(-)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 10954036
(3aR-cis)-(+)-3,3a,8,8a-Tetrahydro-2H-indeno[1,2-d]oxazol-2-one
CID 11789720
1,3a,4,8b-Tetrahydroindeno[1,2-d]oxazol-2-one
CID 4377951
(3aS,9bR)-7,8-difluoro-3a,9b-dihydro-3H-benzo[g][1,3]benzoxazol-2-one
CID 134965762
(3aR,9bR)-7,8-difluoro-3a,9b-dihydro-3H-benzo[g][1,3]benzoxazol-2-one
CID 134965881
2H-Indeno[2,1-d]oxazol-2-one, 3,3a,4,8b-tetrahydro-, cis-
CID 86752856
(4S,5R)-5-(3,5-difluoro-phenyl)-4-methyl-oxazolidin-2-one
CID 58237480
(4R,5S)-5-(3,5-difluoro-phenyl)-4-methyl-oxazolidin-2-one
CID 58237579
(4S,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 59135088
5-(3,5-Difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 67105625
(4S,5R)-4-methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 68075533
4-Methyl-5-(3,4,5-trifluorophenyl)-1,3-oxazolidin-2-one
CID 77401683

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The IUPAC name of 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one (CID 59401394) is 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one.
What is the SMILES notation for 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The canonical SMILES for 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one is O=C1NC2Cc3cc(F)c(F)cc3C2O1.
What is the InChIKey of 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
The InChIKey is CEIIGJIKMJUTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-6-1-4-2-8-9(15-10(14)13-8)5(4)3-7(6)12/h1,3,8-9H,2H2,(H,13,14).
What are the key properties of 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one?
6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one has a molecular weight of 211.17 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-3,3a,4,8b-tetrahydroindeno[2,1-d][1,3]oxazol-2-one is sourced from PubChem (CID 59401394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).