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

C10H6BrF5O2 — CID 134259219

IUPAC7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol
SMILESOC1c2c(Br)ccc(OC(F)(F)F)c2CC1(F)F
InChIInChI=1S/C10H6BrF5O2/c11-5-1-2-6(18-10(14,15)16)4-3-9(12,13)8(17)7(4)5/h1-2,8,17H,3H2
InChIKeySLXOKRLSPXGHQR-UHFFFAOYSA-N
MW333.05 g/mol
LogP3.57
Rot. Bonds1

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

7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol (PubChem CID 134259219) has the molecular formula C10H6BrF5O2 and a molecular weight of 333.05 g/mol. Its IUPAC name is 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol
PubChem CID134259219
Molecular FormulaC10H6BrF5O2
Molecular Weight333.05 g/mol
Exact Mass331.95
IUPAC Name7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol
SMILESOC1c2c(Br)ccc(OC(F)(F)F)c2CC1(F)F
InChIInChI=1S/C10H6BrF5O2/c11-5-1-2-6(18-10(14,15)16)4-3-9(12,13)8(17)7(4)5/h1-2,8,17H,3H2
InChIKeySLXOKRLSPXGHQR-UHFFFAOYSA-N
XLogP3.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.05
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6-Bromo-3-methoxy-2-methylphenyl)methanol
CID 66545090
4-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 61383509
4-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 61383952
(S)-4-trifluoromethoxy-indan-1-ol
CID 67058341
(S)-4-difluoromethoxy-indan-1-ol
CID 67812138
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
7-Bromo-4-(2,2-difluoroethoxy)-2,2-difluoro-1,3-dihydroinden-1-ol
CID 134259251
3-[(7-Bromo-2,2-difluoro-1-hydroxy-1,3-dihydroinden-4-yl)oxy]-5-fluorobenzonitrile;ethane
CID 142287107
2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 142618067
(1R,2S)-2-bromo-5-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 177204988
2-bromo-5-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 177205693

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol?
The IUPAC name of 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol (CID 134259219) is 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol.
What is the SMILES notation for 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol?
The canonical SMILES for 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol is OC1c2c(Br)ccc(OC(F)(F)F)c2CC1(F)F.
What is the InChIKey of 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol?
The InChIKey is SLXOKRLSPXGHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF5O2/c11-5-1-2-6(18-10(14,15)16)4-3-9(12,13)8(17)7(4)5/h1-2,8,17H,3H2.
What are the key properties of 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol?
7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol has a molecular weight of 333.05 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2,2-difluoro-4-(trifluoromethoxy)-1,3-dihydroinden-1-ol is sourced from PubChem (CID 134259219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).