3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline

C10H11ClF3NO — CID 54008381

IUPAC3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
SMILESCc1c(C)c(OC(F)(F)F)c(N)c(C)c1Cl
InChIInChI=1S/C10H11ClF3NO/c1-4-5(2)9(16-10(12,13)14)8(15)6(3)7(4)11/h15H2,1-3H3
InChIKeyKQNIUXPEOCDGIY-UHFFFAOYSA-N
MW253.65 g/mol
LogP3.75
Rot. Bonds1

About 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline

3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline (PubChem CID 54008381) has the molecular formula C10H11ClF3NO and a molecular weight of 253.65 g/mol. Its IUPAC name is 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
PubChem CID54008381
Molecular FormulaC10H11ClF3NO
Molecular Weight253.65 g/mol
Exact Mass253.05
IUPAC Name3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
SMILESCc1c(C)c(OC(F)(F)F)c(N)c(C)c1Cl
InChIInChI=1S/C10H11ClF3NO/c1-4-5(2)9(16-10(12,13)14)8(15)6(3)7(4)11/h15H2,1-3H3
InChIKeyKQNIUXPEOCDGIY-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.65
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 131119063
1,2,3,4,5-pentamethyl-6-(trifluoromethoxy)benzene
CID 118068021
1-chloro-4-methoxy-2,3,6-trimethyl-5-(trifluoromethyl)benzene
CID 116964849
2-chloro-3-methyl-6-(trifluoromethoxy)aniline
CID 118997180
1-chloro-3-(1,1-difluoroethyl)-4-methoxy-2,5,6-trimethylbenzene
CID 116841612
2-chloro-5-methoxy-3,4,6-trimethylaniline
CID 10655623
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478
4-amino-2-chloro-3-(trifluoromethoxy)benzenethiol
CID 118850976
2,4,6-trichloro-3,5-dimethylaniline
CID 130155317
5-chloro-2-fluoro-3-methyl-4-(trifluoromethoxy)pyridine
CID 130951618
2-chloro-5-fluoro-4-methyl-3-(trifluoromethoxy)pyridine
CID 119021842
4-(trifluoromethoxy)pyridine-2,3,5-triamine
CID 118832073

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline?
The IUPAC name of 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline (CID 54008381) is 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline.
What is the SMILES notation for 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline?
The canonical SMILES for 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline is Cc1c(C)c(OC(F)(F)F)c(N)c(C)c1Cl.
What is the InChIKey of 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline?
The InChIKey is KQNIUXPEOCDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3NO/c1-4-5(2)9(16-10(12,13)14)8(15)6(3)7(4)11/h15H2,1-3H3.
What are the key properties of 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline?
3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline has a molecular weight of 253.65 g/mol, XLogP of 3.75, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline is sourced from PubChem (CID 54008381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).