5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol

C16H11F4NO — CID 141006788

IUPAC5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol
SMILESCCc1ccc2c(c1)cc(O)n2-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H11F4NO/c1-2-8-3-4-12-9(5-8)6-13(22)21(12)16-14(19)10(17)7-11(18)15(16)20/h3-7,22H,2H2,1H3
InChIKeyCDZPVMXPNBKLKK-UHFFFAOYSA-N
MW309.26 g/mol
LogP4.45
Rot. Bonds2

About 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol

5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol (PubChem CID 141006788) has the molecular formula C16H11F4NO and a molecular weight of 309.26 g/mol. Its IUPAC name is 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol.

Molecular Properties

Compound Name5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol
PubChem CID141006788
Molecular FormulaC16H11F4NO
Molecular Weight309.26 g/mol
Exact Mass309.08
IUPAC Name5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol
SMILESCCc1ccc2c(c1)cc(O)n2-c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C16H11F4NO/c1-2-8-3-4-12-9(5-8)6-13(22)21(12)16-14(19)10(17)7-11(18)15(16)20/h3-7,22H,2H2,1H3
InChIKeyCDZPVMXPNBKLKK-UHFFFAOYSA-N
XLogP4.45
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.26
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-ethyl-1-methyl-2-(trifluoromethyl)indole
CID 84625236
2-ethyl-6-fluoronaphthalene
CID 58787061
5-ethyl-3-fluoro-1-methylindole;propane
CID 176701533
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
2-ethyl-7-[2-(3,4,5-trifluorophenyl)ethynyl]phenanthrene
CID 139883471
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
5-ethyl-2-fluoroaniline
CID 10630567
1-chloro-4-ethyl-2-fluorobenzene
CID 18711819
5-ethyl-1-(2-hydroxyethyl)indole-2-carboxamide
CID 173096782
2-(4-chloro-3,5-difluorophenyl)-7-ethyl-1-fluorophenanthrene
CID 139884406
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847368
1-[(4-tert-butylphenyl)methyl]-5-ethylindole
CID 110831210

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol?
The IUPAC name of 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol (CID 141006788) is 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol.
What is the SMILES notation for 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol?
The canonical SMILES for 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol is CCc1ccc2c(c1)cc(O)n2-c1c(F)c(F)cc(F)c1F.
What is the InChIKey of 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol?
The InChIKey is CDZPVMXPNBKLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F4NO/c1-2-8-3-4-12-9(5-8)6-13(22)21(12)16-14(19)10(17)7-11(18)15(16)20/h3-7,22H,2H2,1H3.
What are the key properties of 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol?
5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol has a molecular weight of 309.26 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2,3,5,6-tetrafluorophenyl)indol-2-ol is sourced from PubChem (CID 141006788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).