2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol

C10H10F3N3O — CID 84704974

IUPAC2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol
SMILESNC(CO)c1[nH]nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)5-1-2-8-6(3-5)9(16-15-8)7(14)4-17/h1-3,7,17H,4,14H2,(H,15,16)
InChIKeyDJAKZDSTNSAPGK-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.57
Rot. Bonds2

About 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol

2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol (PubChem CID 84704974) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol.

Molecular Properties

Compound Name2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol
PubChem CID84704974
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol
SMILESNC(CO)c1[nH]nc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)5-1-2-8-6(3-5)9(16-15-8)7(14)4-17/h1-3,7,17H,4,14H2,(H,15,16)
InChIKeyDJAKZDSTNSAPGK-UHFFFAOYSA-N
XLogP1.57
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-(trifluoromethyl)-2H-indazol-3-yl]ethanamine
CID 76846281
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
2-[(1S)-1-amino-2-hydroxyethyl]-5-(trifluoromethyl)benzonitrile
CID 66515112
2-[6-(trifluoromethyl)-2H-indazol-3-yl]acetonitrile
CID 76846222
6-(trifluoromethyl)-2H-indazole-3-carbaldehyde
CID 24729230
2,11-bis(trifluoromethyl)picene
CID 88902337
2-(3-chloro-2H-indazol-5-yl)propan-2-amine
CID 117299675
(1R)-2-fluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 131344633
2-(1-aminoethyl)-6-(trifluoromethyl)-3H-quinazolin-4-one
CID 136900820
2-amino-2-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 43154745
[2-[(1R)-1,2-diaminoethyl]-5-(trifluoromethyl)phenyl]methanol
CID 66518100
4-bromo-6-(trifluoromethyl)-2H-phthalazin-1-one
CID 162363983

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol?
The IUPAC name of 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol (CID 84704974) is 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol.
What is the SMILES notation for 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol?
The canonical SMILES for 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol is NC(CO)c1[nH]nc2ccc(C(F)(F)F)cc12.
What is the InChIKey of 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol?
The InChIKey is DJAKZDSTNSAPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)5-1-2-8-6(3-5)9(16-15-8)7(14)4-17/h1-3,7,17H,4,14H2,(H,15,16).
What are the key properties of 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol?
2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol has a molecular weight of 245.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[5-(trifluoromethyl)-2H-indazol-3-yl]ethanol is sourced from PubChem (CID 84704974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).