7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one

C18H10F6N2O — CID 10134601

IUPAC7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one
SMILESO=c1cc(C(F)(F)F)c2c(ccc3c2c2ccccc2n3CC(F)(F)F)[nH]1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)8-26-12-4-2-1-3-9(12)15-13(26)6-5-11-16(15)10(18(22,23)24)7-14(27)25-11/h1-7H,8H2,(H,25,27)
InChIKeyFAQGVZUHYFCKJV-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.22
Rot. Bonds1

About 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one

7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one (PubChem CID 10134601) has the molecular formula C18H10F6N2O and a molecular weight of 384.28 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one
PubChem CID10134601
Molecular FormulaC18H10F6N2O
Molecular Weight384.28 g/mol
Exact Mass384.07
IUPAC Name7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one
SMILESO=c1cc(C(F)(F)F)c2c(ccc3c2c2ccccc2n3CC(F)(F)F)[nH]1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)8-26-12-4-2-1-3-9(12)15-13(26)6-5-11-16(15)10(18(22,23)24)7-14(27)25-11/h1-7H,8H2,(H,25,27)
InChIKeyFAQGVZUHYFCKJV-UHFFFAOYSA-N
XLogP5.22
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one?
The IUPAC name of 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one (CID 10134601) is 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one.
What is the SMILES notation for 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one?
The canonical SMILES for 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one is O=c1cc(C(F)(F)F)c2c(ccc3c2c2ccccc2n3CC(F)(F)F)[nH]1.
What is the InChIKey of 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one?
The InChIKey is FAQGVZUHYFCKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O/c19-17(20,21)8-26-12-4-2-1-3-9(12)15-13(26)6-5-11-16(15)10(18(22,23)24)7-14(27)25-11/h1-7H,8H2,(H,25,27).
What are the key properties of 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one?
7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one has a molecular weight of 384.28 g/mol, XLogP of 5.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethyl)-1-(trifluoromethyl)-4H-pyrido[2,3-c]carbazol-3-one is sourced from PubChem (CID 10134601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).