7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol

C11H9BrF4O2 — CID 134259251

IUPAC7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESOC1c2c(Br)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9BrF4O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2
InChIKeyXYPSVVJMGKVPSS-UHFFFAOYSA-N
MW329.09 g/mol
LogP3.32
Rot. Bonds3

About 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol

7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol (PubChem CID 134259251) has the molecular formula C11H9BrF4O2 and a molecular weight of 329.09 g/mol. Its IUPAC name is 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
PubChem CID134259251
Molecular FormulaC11H9BrF4O2
Molecular Weight329.09 g/mol
Exact Mass327.97
IUPAC Name7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
SMILESOC1c2c(Br)ccc(OCC(F)F)c2CC1(F)F
InChIInChI=1S/C11H9BrF4O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2
InChIKeyXYPSVVJMGKVPSS-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.09
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(7-Bromo-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl)oxy]-5-fluorobenzonitrile
CID 134254589
3-[(7-bromo-1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-5-fluorobenzonitrile
CID 134254667
(1S)-4-(2,2-difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259147
(1S,3R)-2,2,3-trifluoro-4-(3-fluoropropoxy)-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259149
4-(2,2-Difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
CID 134259216
4-(2,2-Difluoroethoxy)-2,2,7-trifluoro-1,3-dihydroinden-1-ol
CID 134259217
7-Bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol
CID 134259219
4-(2,2-difluoroethoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 134259226
4-(2,2-Difluoroethoxy)-2,2-difluoro-7-iodo-1,3-dihydroinden-1-ol
CID 134259245
2,2-Difluoro-7-iodo-4-propoxy-1,3-dihydroinden-1-ol
CID 134259246
4-(2,2-Difluoroethoxy)-2,2-difluoro-7-(trifluoromethyl)-1,3-dihydroinden-1-ol
CID 134259249
(1S,2R)-4-(2,2-difluoroethoxy)-2-fluoro-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 134259259

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The IUPAC name of 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol (CID 134259251) is 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol.
What is the SMILES notation for 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The canonical SMILES for 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol is OC1c2c(Br)ccc(OCC(F)F)c2CC1(F)F.
What is the InChIKey of 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
The InChIKey is XYPSVVJMGKVPSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF4O2/c12-6-1-2-7(18-4-8(13)14)5-3-11(15,16)10(17)9(5)6/h1-2,8,10,17H,3-4H2.
What are the key properties of 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol?
7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol has a molecular weight of 329.09 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).