9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole

C20H14F3NO — CID 174779203

IUPAC9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole
SMILESCCOc1c(F)cc(-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C20H14F3NO/c1-2-25-20-14(21)11-17(18(22)19(20)23)24-15-9-5-3-7-12(15)13-8-4-6-10-16(13)24/h3-11H,2H2,1H3
InChIKeyFRWLOFVJVSKEHE-UHFFFAOYSA-N
MW341.33 g/mol
LogP5.60
Rot. Bonds3

About 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole

9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole (PubChem CID 174779203) has the molecular formula C20H14F3NO and a molecular weight of 341.33 g/mol. Its IUPAC name is 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole.

Molecular Properties

Compound Name9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole
PubChem CID174779203
Molecular FormulaC20H14F3NO
Molecular Weight341.33 g/mol
Exact Mass341.10
IUPAC Name9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole
SMILESCCOc1c(F)cc(-n2c3ccccc3c3ccccc32)c(F)c1F
InChIInChI=1S/C20H14F3NO/c1-2-25-20-14(21)11-17(18(22)19(20)23)24-15-9-5-3-7-12(15)13-8-4-6-10-16(13)24/h3-11H,2H2,1H3
InChIKeyFRWLOFVJVSKEHE-UHFFFAOYSA-N
XLogP5.60
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.33
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2,3,5-trifluorophenol
CID 174599301
3-carbazol-9-yl-9-[9-(2-carbazol-9-ylphenyl)carbazol-3-yl]carbazole
CID 167209844
2,4-diethoxy-1,3-difluoro-5-iodobenzene
CID 50998226
9-[2-(2,2-dimethylpropyl)phenyl]carbazole
CID 154939343
ethane;9-(5-fluoro-2-methoxyphenyl)carbazole
CID 144565346
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
[3-(3-ethoxycarbazol-9-yl)phenyl]phosphonic acid
CID 178181472
2-ethoxy-1,3,4,5,6,7,8-heptafluoronaphthalene
CID 12954352
4-carbazol-9-yl-2-fluoro-5-[1-(methylamino)ethyl]benzonitrile
CID 145189974
9-(5-carbazol-9-yl-1-methylindazol-6-yl)carbazole
CID 163427007
9-(2-bromo-3-fluoro-5-iodophenyl)carbazole
CID 176903087
9-[2-carbazol-9-yl-4-[4,5-di(carbazol-9-yl)-2-(trifluoromethyl)phenyl]-5-(trifluoromethyl)phenyl]carbazole
CID 166982249

Frequently Asked Questions

What is the IUPAC name of 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole?
The IUPAC name of 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole (CID 174779203) is 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole.
What is the SMILES notation for 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole?
The canonical SMILES for 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole is CCOc1c(F)cc(-n2c3ccccc3c3ccccc32)c(F)c1F.
What is the InChIKey of 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole?
The InChIKey is FRWLOFVJVSKEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3NO/c1-2-25-20-14(21)11-17(18(22)19(20)23)24-15-9-5-3-7-12(15)13-8-4-6-10-16(13)24/h3-11H,2H2,1H3.
What are the key properties of 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole?
9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole has a molecular weight of 341.33 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-ethoxy-2,3,5-trifluorophenyl)carbazole is sourced from PubChem (CID 174779203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).