1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole

C17H13F3N2O — CID 174901786

IUPAC1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
SMILESCCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N=O)ccc21
InChIInChI=1S/C17H13F3N2O/c1-2-22-15-7-6-14(21-23)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2H2,1H3
InChIKeyZYCZGDCNXWRBHI-UHFFFAOYSA-N
MW318.30 g/mol
LogP5.74
Rot. Bonds3

About 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole

1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole (PubChem CID 174901786) has the molecular formula C17H13F3N2O and a molecular weight of 318.30 g/mol. Its IUPAC name is 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
PubChem CID174901786
Molecular FormulaC17H13F3N2O
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole
SMILESCCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N=O)ccc21
InChIInChI=1S/C17H13F3N2O/c1-2-22-15-7-6-14(21-23)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2H2,1H3
InChIKeyZYCZGDCNXWRBHI-UHFFFAOYSA-N
XLogP5.74
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.30
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-2-[3-(trifluoromethyl)phenyl]indol-5-amine
CID 118466537
1-ethyl-6-phenyl-4-[3-(trifluoromethyl)phenyl]pyrimidin-2-one
CID 158368432
4-ethyl-3-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-5-thione
CID 113299989
3-ethyl-5-iodo-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylic acid
CID 67133111
2-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-amine
CID 117121445
2-[(2,4-dimethylphenyl)methyl]-3-[3-(trifluoromethyl)phenyl]isoquinolin-1-one
CID 66882876
(Z,2E)-2-[2-[2-[3-(trifluoromethyl)phenyl]benzo[e]indol-3-yl]ethylidene]pent-3-enoic acid
CID 143214516
2-[3-(trifluoromethyl)phenyl]naphthalene-1-carbaldehyde
CID 175968223
1-[1-ethyl-5-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117121432
1-methyl-5-[3-(trifluoromethyl)phenyl]pyrrole-2-carbaldehyde
CID 28811541
1,2,3,4,5-pentachloro-6-[3-(trifluoromethyl)phenyl]benzene
CID 134617383
ethanamine;1-ethyl-4-oxo-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 158956664

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole (CID 174901786) is 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole is CCn1c(-c2cccc(C(F)(F)F)c2)cc2cc(N=O)ccc21.
What is the InChIKey of 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole?
The InChIKey is ZYCZGDCNXWRBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O/c1-2-22-15-7-6-14(21-23)9-12(15)10-16(22)11-4-3-5-13(8-11)17(18,19)20/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole?
1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole has a molecular weight of 318.30 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-nitroso-2-[3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 174901786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).