N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide

C16H13F3N2O — CID 2226619

IUPACN-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
InChIKeyASFXOPCVODXQIM-UHFFFAOYSA-N
MW306.29 g/mol
LogP4.32
Rot. Bonds2

About N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide

N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide (PubChem CID 2226619) has the molecular formula C16H13F3N2O and a molecular weight of 306.29 g/mol. Its IUPAC name is N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide
PubChem CID2226619
Molecular FormulaC16H13F3N2O
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC NameN-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide
SMILESCCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21
InChIInChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22)
InChIKeyASFXOPCVODXQIM-UHFFFAOYSA-N
XLogP4.32
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide (CID 2226619) is N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide is CCn1c2ccccc2c2cc(NC(=O)C(F)(F)F)ccc21.
What is the InChIKey of N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide?
The InChIKey is ASFXOPCVODXQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O/c1-2-21-13-6-4-3-5-11(13)12-9-10(7-8-14(12)21)20-15(22)16(17,18)19/h3-9H,2H2,1H3,(H,20,22).
What are the key properties of N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide?
N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide has a molecular weight of 306.29 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9-ethylcarbazol-3-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 2226619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).