2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol

C19H18F3NO — CID 69354935

IUPAC2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C)cc(-n2cc(C(C)(O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C19H18F3NO/c1-12-8-13(2)10-14(9-12)23-11-16(18(3,24)19(20,21)22)15-6-4-5-7-17(15)23/h4-11,24H,1-3H3
InChIKeyJCNBEFGJXZZALM-UHFFFAOYSA-N
MW333.35 g/mol
LogP5.02
Rot. Bonds2

About 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol

2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol (PubChem CID 69354935) has the molecular formula C19H18F3NO and a molecular weight of 333.35 g/mol. Its IUPAC name is 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
PubChem CID69354935
Molecular FormulaC19H18F3NO
Molecular Weight333.35 g/mol
Exact Mass333.13
IUPAC Name2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(C)cc(-n2cc(C(C)(O)C(F)(F)F)c3ccccc32)c1
InChIInChI=1S/C19H18F3NO/c1-12-8-13(2)10-14(9-12)23-11-16(18(3,24)19(20,21)22)15-6-4-5-7-17(15)23/h4-11,24H,1-3H3
InChIKeyJCNBEFGJXZZALM-UHFFFAOYSA-N
XLogP5.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.35
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol (CID 69354935) is 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol is Cc1cc(C)cc(-n2cc(C(C)(O)C(F)(F)F)c3ccccc32)c1.
What is the InChIKey of 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is JCNBEFGJXZZALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3NO/c1-12-8-13(2)10-14(9-12)23-11-16(18(3,24)19(20,21)22)15-6-4-5-7-17(15)23/h4-11,24H,1-3H3.
What are the key properties of 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol?
2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 333.35 g/mol, XLogP of 5.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-dimethylphenyl)indol-3-yl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 69354935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).