3-chloro-4-methoxy-5-(trifluoromethyl)aniline

C8H7ClF3NO — CID 131188893

IUPAC3-chloro-4-methoxy-5-(trifluoromethyl)aniline
SMILESCOc1c(Cl)cc(N)cc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-5(8(10,11)12)2-4(13)3-6(7)9/h2-3H,13H2,1H3
InChIKeyOLJHKNOHZZBOMF-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.95
Rot. Bonds1

About 3-chloro-4-methoxy-5-(trifluoromethyl)aniline

3-chloro-4-methoxy-5-(trifluoromethyl)aniline (PubChem CID 131188893) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 3-chloro-4-methoxy-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-4-methoxy-5-(trifluoromethyl)aniline
PubChem CID131188893
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name3-chloro-4-methoxy-5-(trifluoromethyl)aniline
SMILESCOc1c(Cl)cc(N)cc1C(F)(F)F
InChIInChI=1S/C8H7ClF3NO/c1-14-7-5(8(10,11)12)2-4(13)3-6(7)9/h2-3H,13H2,1H3
InChIKeyOLJHKNOHZZBOMF-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-methoxy-3,5-bis(trifluoromethyl)aniline
CID 134640581
4-butoxy-3-chloro-5-(trifluoromethyl)aniline
CID 154260016
3-chloro-4-methoxy-5-(trifluoromethyl)benzoic acid
CID 67041821
3-chloro-4-methylsulfanyl-5-(trifluoromethyl)aniline
CID 118818035
2-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]-N-methylethanamine
CID 117422639
3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propan-1-ol
CID 117425053
5-chloro-1-fluoro-2-methoxy-3-(trifluoromethyl)benzene
CID 171001774
2-amino-3-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]propanoic acid
CID 117479208
5-amino-3-chloro-2-methoxybenzonitrile
CID 131296171
[4-amino-2-chloro-6-(trifluoromethyl)phenyl]methanol
CID 118812382
4-amino-4-[3-chloro-4-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 117496404
1-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 84707984

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methoxy-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-4-methoxy-5-(trifluoromethyl)aniline (CID 131188893) is 3-chloro-4-methoxy-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-4-methoxy-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-4-methoxy-5-(trifluoromethyl)aniline is COc1c(Cl)cc(N)cc1C(F)(F)F.
What is the InChIKey of 3-chloro-4-methoxy-5-(trifluoromethyl)aniline?
The InChIKey is OLJHKNOHZZBOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-14-7-5(8(10,11)12)2-4(13)3-6(7)9/h2-3H,13H2,1H3.
What are the key properties of 3-chloro-4-methoxy-5-(trifluoromethyl)aniline?
3-chloro-4-methoxy-5-(trifluoromethyl)aniline has a molecular weight of 225.60 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methoxy-5-(trifluoromethyl)aniline is sourced from PubChem (CID 131188893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).