(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one

C13H8F3NO2 — CID 7689726

IUPAC(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
SMILESO=C1Nc2ccc3ccccc3c2[C@]1(O)C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)12(19)10-8-4-2-1-3-7(8)5-6-9(10)17-11(12)18/h1-6,19H,(H,17,18)/t12-/m1/s1
InChIKeyXMRJZYBECUPWSZ-GFCCVEGCSA-N
MW267.21 g/mol
LogP2.54
Rot. Bonds

About (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one

(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one (PubChem CID 7689726) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
PubChem CID7689726
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one
SMILESO=C1Nc2ccc3ccccc3c2[C@]1(O)C(F)(F)F
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)12(19)10-8-4-2-1-3-7(8)5-6-9(10)17-11(12)18/h1-6,19H,(H,17,18)/t12-/m1/s1
InChIKeyXMRJZYBECUPWSZ-GFCCVEGCSA-N
XLogP2.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-fluoro-3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-1H-indol-2-one
CID 101433320
3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-5-iodo-1H-indol-2-one
CID 101433323
2,14-diazapentacyclo[14.8.0.04,13.05,10.017,22]tetracosa-1(16),4(13),5,7,9,11,17,19,21,23-decaene-3,15-dione
CID 170859547
4-(trifluoromethyl)spiro[1H-indole-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene]-2-one
CID 14616685
13-methyl-12,14-bis(trifluoromethylsulfonyl)-12,14-diaza-13-aluminapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 16689015
1,1-dimethyl-2,3-dihydrobenzo[e]indole-2-carboxamide
CID 175264212
(3R)-5-fluoro-3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1H-indol-2-one
CID 7693260
(3R)-3-hydroxy-3-(trifluoromethyl)-2H-benzo[f]chromen-1-one
CID 830125
naphthalen-1-amine;trifluoromethanesulfonic acid
CID 175237675
2,2,2-trifluoroacetate;1,1,2-trimethylbenzo[e]indol-3-ium
CID 158044450
[(3R)-2-oxo-3-(trifluoromethyl)-1H-benzo[g]indol-3-yl] 2-methylpropanoate
CID 2496820
2,2,2-trifluoro-1-naphthalen-1-ylethanethione
CID 23496318

Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one?
The IUPAC name of (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one (CID 7689726) is (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one.
What is the SMILES notation for (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one?
The canonical SMILES for (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one is O=C1Nc2ccc3ccccc3c2[C@]1(O)C(F)(F)F.
What is the InChIKey of (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one?
The InChIKey is XMRJZYBECUPWSZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)12(19)10-8-4-2-1-3-7(8)5-6-9(10)17-11(12)18/h1-6,19H,(H,17,18)/t12-/m1/s1.
What are the key properties of (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one?
(1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one has a molecular weight of 267.21 g/mol, XLogP of 2.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-1-(trifluoromethyl)-3H-benzo[e]indol-2-one is sourced from PubChem (CID 7689726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).