2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol

C14H16F3NO — CID 24820076

IUPAC2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
SMILESCCC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C
InChIInChI=1S/C14H16F3NO/c1-4-13(3,19)12-8(2)10-7-9(14(15,16)17)5-6-11(10)18-12/h5-7,18-19H,4H2,1-3H3
InChIKeyNKPYWMAFATXQRN-UHFFFAOYSA-N
MW271.28 g/mol
LogP4.11
Rot. Bonds2

About 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol

2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol (PubChem CID 24820076) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol.

Molecular Properties

Compound Name2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
PubChem CID24820076
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol
SMILESCCC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C
InChIInChI=1S/C14H16F3NO/c1-4-13(3,19)12-8(2)10-7-9(14(15,16)17)5-6-11(10)18-12/h5-7,18-19H,4H2,1-3H3
InChIKeyNKPYWMAFATXQRN-UHFFFAOYSA-N
XLogP4.11
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21318138
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CID 52943808
CID 52943808
CID 659192
CID 659192
CID 10378448
CID 10378448
CID 24792662
CID 24792662
CID 24792664
CID 24792664
CID 24818822
CID 24818822
CID 24818824
CID 24818824
CID 24818826
CID 24818826

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol?
The IUPAC name of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol (CID 24820076) is 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol.
What is the SMILES notation for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol?
The canonical SMILES for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol is CCC(C)(O)c1[nH]c2ccc(C(F)(F)F)cc2c1C.
What is the InChIKey of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol?
The InChIKey is NKPYWMAFATXQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-4-13(3,19)12-8(2)10-7-9(14(15,16)17)5-6-11(10)18-12/h5-7,18-19H,4H2,1-3H3.
What are the key properties of 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol?
2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol has a molecular weight of 271.28 g/mol, XLogP of 4.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-5-(trifluoromethyl)-1H-indol-2-yl]butan-2-ol is sourced from PubChem (CID 24820076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).