2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline

C15H13F3N2O — CID 91021616

IUPAC2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(N=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-10(20-21)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)15(16,17)18/h2-10,19H,1H3
InChIKeyUNDLFSQSARRQHJ-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.28
Rot. Bonds4

About 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline

2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 91021616) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID91021616
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(N=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H13F3N2O/c1-10(20-21)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)15(16,17)18/h2-10,19H,1H3
InChIKeyUNDLFSQSARRQHJ-UHFFFAOYSA-N
XLogP5.28
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.28
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
CID 166685653
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
1-[4-[2-[4-(trifluoromethyl)anilino]phenyl]phenyl]ethanol
CID 169108594
5-N-(2-propan-2-ylphenyl)-3-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazine-3,5-diamine
CID 112964640
2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
1-N-phenyl-4-N-(2-propan-2-ylphenyl)benzene-1,4-diamine
CID 141333643
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
1-N,3-N,5-N-tris[2-[4-(trifluoromethyl)anilino]phenyl]benzene-1,3,5-tricarboxamide
CID 90291612
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 11617162
2-[amino-[(Z)-[amino-[2-[4-(trifluoromethyl)anilino]phenyl]methylidene]amino]amino]-N-methylacetamide
CID 142468369

Frequently Asked Questions

What is the IUPAC name of 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 91021616) is 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline is CC(N=O)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is UNDLFSQSARRQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c1-10(20-21)13-4-2-3-5-14(13)19-12-8-6-11(7-9-12)15(16,17)18/h2-10,19H,1H3.
What are the key properties of 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline?
2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 294.28 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-nitrosoethyl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 91021616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).