2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol

C12H17F3N2O — CID 591801

IUPAC2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol
SMILESCC1CN(C)C(C)c2cc(C(O)C(F)(F)F)[nH]c21
InChIInChI=1S/C12H17F3N2O/c1-6-5-17(3)7(2)8-4-9(16-10(6)8)11(18)12(13,14)15/h4,6-7,11,16,18H,5H2,1-3H3
InChIKeySEUZFHKJVANXOV-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.72
Rot. Bonds1

About 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol

2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol (PubChem CID 591801) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol
PubChem CID591801
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol
SMILESCC1CN(C)C(C)c2cc(C(O)C(F)(F)F)[nH]c21
InChIInChI=1S/C12H17F3N2O/c1-6-5-17(3)7(2)8-4-9(16-10(6)8)11(18)12(13,14)15/h4,6-7,11,16,18H,5H2,1-3H3
InChIKeySEUZFHKJVANXOV-UHFFFAOYSA-N
XLogP2.72
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4,5,7-Trimethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-methanol
CID 595357
1-(5-Phenyl-1H-pyrrole-2-yl)-2,2,2-trifluoroethanol
CID 3127243
1-(1-Ethyl-5-phenylpyrrol-2-yl)-2,2,2-trifluoroethan-1-ol
CID 3127242
2,2,2-trifluoro-1-(4,5,6,7-tetrahydro-1H-indol-2-yl)ethan-1-ol
CID 101964642
1,1,1-trifluoro-2-[1-methyl-1-(trifluoromethyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-6-yl]propan-2-ol
CID 154722176
2,2,2-Trifluoro-1-[1-(trifluoromethyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-6-yl]ethanol
CID 154722224
1,11-Diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-ol
CID 393309
2,2,2-trifluoro-1-(3-methyl-1H-indol-2-yl)ethanol
CID 14022934
2,2,2-trifluoro-1-[5-(4-methylphenyl)-1H-pyrrol-2-yl]ethanol
CID 102103257
3-[3-(2-Cyclohexylmethylpiperidino)propyl]-5,7-difluoro-2-hydroxymethylindole
CID 21313412
[2-Pentyl-6-(trifluoromethyl)-4-pyridinyl]-piperidin-2-ylmethanol
CID 68139079
2-(4,5-dipentyl-1H-pyrrol-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 88716938

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol (CID 591801) is 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol is CC1CN(C)C(C)c2cc(C(O)C(F)(F)F)[nH]c21.
What is the InChIKey of 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol?
The InChIKey is SEUZFHKJVANXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-6-5-17(3)7(2)8-4-9(16-10(6)8)11(18)12(13,14)15/h4,6-7,11,16,18H,5H2,1-3H3.
What are the key properties of 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol?
2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol has a molecular weight of 262.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4,5,7-trimethyl-1,4,6,7-tetrahydropyrrolo[3,2-c]pyridin-2-yl)ethanol is sourced from PubChem (CID 591801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).