1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol

C12H13F3N2O — CID 121000977

IUPAC1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc2[nH]cc(C(O)C(F)(F)F)c2c1
InChIInChI=1S/C12H13F3N2O/c1-17(2)7-3-4-10-8(5-7)9(6-16-10)11(18)12(13,14)15/h3-6,11,16,18H,1-2H3
InChIKeyJPOZIPLZTZZFGN-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.83
Rot. Bonds2

About 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol

1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol (PubChem CID 121000977) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol
PubChem CID121000977
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol
SMILESCN(C)c1ccc2[nH]cc(C(O)C(F)(F)F)c2c1
InChIInChI=1S/C12H13F3N2O/c1-17(2)7-3-4-10-8(5-7)9(6-16-10)11(18)12(13,14)15/h3-6,11,16,18H,1-2H3
InChIKeyJPOZIPLZTZZFGN-UHFFFAOYSA-N
XLogP2.83
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(dimethylamino)-1H-indol-3-yl]ethanone
CID 82397112
(1S)-1-[4-(dimethylamino)phenyl]-2,2,2-trifluoroethanol
CID 11413331
4-[(5-chloro-1H-indol-3-yl)-phenylmethyl]-N,N-dimethylaniline
CID 102231510
3-(2-aminoethyl)-N,N-dimethyl-1H-indol-5-amine;methane;hydrochloride
CID 20976500
3-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-indol-5-ol
CID 84737251
4-[3-amino-2-(5-methyl-1H-indol-3-yl)propyl]-N,N-dimethylaniline
CID 83976395
1-(5-fluoro-1H-indol-3-yl)propan-1-ol
CID 118499302
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
(2R)-3,3,3-trifluoro-2-(5-methoxy-1H-indol-3-yl)propanoic acid
CID 98042413
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
4-[(5-bromo-1H-indol-3-yl)-(4-nitrophenyl)methyl]-N,N-dimethylaniline
CID 166445702
5-bromo-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78321201

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol (CID 121000977) is 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol is CN(C)c1ccc2[nH]cc(C(O)C(F)(F)F)c2c1.
What is the InChIKey of 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol?
The InChIKey is JPOZIPLZTZZFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-17(2)7-3-4-10-8(5-7)9(6-16-10)11(18)12(13,14)15/h3-6,11,16,18H,1-2H3.
What are the key properties of 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol?
1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol has a molecular weight of 258.24 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dimethylamino)-1H-indol-3-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 121000977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).