2-chloro-3-methyl-6-(trifluoromethoxy)aniline

C8H7ClF3NO — CID 118997180

IUPAC2-chloro-3-methyl-6-(trifluoromethoxy)aniline
SMILESCc1ccc(OC(F)(F)F)c(N)c1Cl
InChIInChI=1S/C8H7ClF3NO/c1-4-2-3-5(7(13)6(4)9)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyVZAQTRRKSASKTE-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.13
Rot. Bonds1

About 2-chloro-3-methyl-6-(trifluoromethoxy)aniline

2-chloro-3-methyl-6-(trifluoromethoxy)aniline (PubChem CID 118997180) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-3-methyl-6-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-chloro-3-methyl-6-(trifluoromethoxy)aniline
PubChem CID118997180
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-3-methyl-6-(trifluoromethoxy)aniline
SMILESCc1ccc(OC(F)(F)F)c(N)c1Cl
InChIInChI=1S/C8H7ClF3NO/c1-4-2-3-5(7(13)6(4)9)14-8(10,11)12/h2-3H,13H2,1H3
InChIKeyVZAQTRRKSASKTE-UHFFFAOYSA-N
XLogP3.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.13
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

2-chloro-6-methoxy-3-methylaniline
CID 84766117
methyl 3-amino-2-chloro-4-(trifluoromethoxy)benzoate
CID 134645548
3-chloro-1-fluoro-4-methyl-2-(trifluoromethoxy)benzene
CID 130775478
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
3-chloro-2-(chloromethyl)-6-(trifluoromethoxy)aniline
CID 118999388
1,3-dimethyl-2,4-bis(trifluoromethoxy)benzene
CID 173196133
2-(aminomethyl)-6-chloro-3-(trifluoromethoxy)aniline
CID 119001366
2-bromo-3-fluoro-6-(trifluoromethoxy)aniline
CID 118995381
6-chloro-3-(trifluoromethoxy)pyridin-2-amine
CID 118991079
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
3-chloro-2,4,5-trimethyl-6-(trifluoromethoxy)aniline
CID 54008381
2,3-dichloro-4-(trifluoromethoxy)phenol
CID 119023608

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-methyl-6-(trifluoromethoxy)aniline?
The IUPAC name of 2-chloro-3-methyl-6-(trifluoromethoxy)aniline (CID 118997180) is 2-chloro-3-methyl-6-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-chloro-3-methyl-6-(trifluoromethoxy)aniline?
The canonical SMILES for 2-chloro-3-methyl-6-(trifluoromethoxy)aniline is Cc1ccc(OC(F)(F)F)c(N)c1Cl.
What is the InChIKey of 2-chloro-3-methyl-6-(trifluoromethoxy)aniline?
The InChIKey is VZAQTRRKSASKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4-2-3-5(7(13)6(4)9)14-8(10,11)12/h2-3H,13H2,1H3.
What are the key properties of 2-chloro-3-methyl-6-(trifluoromethoxy)aniline?
2-chloro-3-methyl-6-(trifluoromethoxy)aniline has a molecular weight of 225.60 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-methyl-6-(trifluoromethoxy)aniline is sourced from PubChem (CID 118997180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).