7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene

C12H12BrF3O — CID 175031708

IUPAC7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
SMILESCc1cc(Br)c2c(c1)CCC2OC(F)C(F)F
InChIInChI=1S/C12H12BrF3O/c1-6-4-7-2-3-9(10(7)8(13)5-6)17-12(16)11(14)15/h4-5,9,11-12H,2-3H2,1H3
InChIKeyIGPXJFAVPRIAFV-UHFFFAOYSA-N
MW309.12 g/mol
LogP4.32
Rot. Bonds3

About 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene

7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene (PubChem CID 175031708) has the molecular formula C12H12BrF3O and a molecular weight of 309.12 g/mol. Its IUPAC name is 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
PubChem CID175031708
Molecular FormulaC12H12BrF3O
Molecular Weight309.12 g/mol
Exact Mass308.00
IUPAC Name7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene
SMILESCc1cc(Br)c2c(c1)CCC2OC(F)C(F)F
InChIInChI=1S/C12H12BrF3O/c1-6-4-7-2-3-9(10(7)8(13)5-6)17-12(16)11(14)15/h4-5,9,11-12H,2-3H2,1H3
InChIKeyIGPXJFAVPRIAFV-UHFFFAOYSA-N
XLogP4.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.12
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-Bromo-2,3-dihydro-1-(1-methylethoxy)-1H-indene
CID 47002601
4-Bromo-1-indanyl acetate
CID 19801183
(S)-4-bromo-5-trifluoromethyl-indan-1-ol
CID 86700775
(1aS,6aR)-5-Bromo-3-fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene
CID 89444796
5-bromo-4-fluoro-6,6a-dihydro-1aH-1-oxa-cyclopropa[a]indene
CID 89621411
5-bromo-2-fluoro-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
CID 89621444
[(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy-tert-butyl-dimethylsilane
CID 89826025
(1S)-4-bromo-7-fluoro-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 89826104
(1S)-4-bromo-6-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 89826127
(1S)-4-bromo-7-fluoro-6-(1-fluoroethenyl)-2,3-dihydro-1H-inden-1-ol
CID 89836047
6-Bromo-4-(trifluoromethyl)indan-1-ol
CID 90013465
2-bromo-1-[(1R)-1-[(2R)-2-methylbutoxy]ethyl]-4-(trifluoromethyl)benzene
CID 118486788

Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene?
The IUPAC name of 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene (CID 175031708) is 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene.
What is the SMILES notation for 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene?
The canonical SMILES for 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene is Cc1cc(Br)c2c(c1)CCC2OC(F)C(F)F.
What is the InChIKey of 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene?
The InChIKey is IGPXJFAVPRIAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3O/c1-6-4-7-2-3-9(10(7)8(13)5-6)17-12(16)11(14)15/h4-5,9,11-12H,2-3H2,1H3.
What are the key properties of 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene?
7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene has a molecular weight of 309.12 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-methyl-1-(1,2,2-trifluoroethoxy)-2,3-dihydro-1H-indene is sourced from PubChem (CID 175031708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).