2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline

C10H11ClF3NO — CID 28950883

IUPAC2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline
SMILESCOCCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-16-6-5-15-9-7(10(12,13)14)3-2-4-8(9)11/h2-4,15H,5-6H2,1H3
InChIKeyFBGMHSHABJWVGN-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.42
Rot. Bonds4

About 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline

2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline (PubChem CID 28950883) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline
PubChem CID28950883
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline
SMILESCOCCNc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C10H11ClF3NO/c1-16-6-5-15-9-7(10(12,13)14)3-2-4-8(9)11/h2-4,15H,5-6H2,1H3
InChIKeyFBGMHSHABJWVGN-UHFFFAOYSA-N
XLogP3.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline (CID 28950883) is 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline is COCCNc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline?
The InChIKey is FBGMHSHABJWVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-16-6-5-15-9-7(10(12,13)14)3-2-4-8(9)11/h2-4,15H,5-6H2,1H3.
What are the key properties of 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline?
2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline has a molecular weight of 253.65 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methoxyethyl)-6-(trifluoromethyl)aniline is sourced from PubChem (CID 28950883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).