2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline

C10H10ClF4N — CID 175631651

IUPAC2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline
SMILESCCc1c(Cl)c(N)c(F)c(C)c1C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c1-3-5-6(10(13,14)15)4(2)8(12)9(16)7(5)11/h3,16H2,1-2H3
InChIKeyKQDXKLULLBWKKW-UHFFFAOYSA-N
MW255.64 g/mol
LogP3.95
Rot. Bonds1

About 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline

2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline (PubChem CID 175631651) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline
PubChem CID175631651
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline
SMILESCCc1c(Cl)c(N)c(F)c(C)c1C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c1-3-5-6(10(13,14)15)4(2)8(12)9(16)7(5)11/h3,16H2,1-2H3
InChIKeyKQDXKLULLBWKKW-UHFFFAOYSA-N
XLogP3.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline (CID 175631651) is 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline is CCc1c(Cl)c(N)c(F)c(C)c1C(F)(F)F.
What is the InChIKey of 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline?
The InChIKey is KQDXKLULLBWKKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N/c1-3-5-6(10(13,14)15)4(2)8(12)9(16)7(5)11/h3,16H2,1-2H3.
What are the key properties of 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline?
2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline has a molecular weight of 255.64 g/mol, XLogP of 3.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-ethyl-6-fluoro-5-methyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 175631651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).