5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline

C11H11ClF3NO — CID 166892803

IUPAC5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCOc1cc(C2(C(F)(F)F)CC2)c(Cl)cc1N
InChIInChI=1S/C11H11ClF3NO/c1-17-9-4-6(7(12)5-8(9)16)10(2-3-10)11(13,14)15/h4-5H,2-3,16H2,1H3
InChIKeyPCQVYZJYDGXOQZ-UHFFFAOYSA-N
MW265.66 g/mol
LogP3.52
Rot. Bonds2

About 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline

5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline (PubChem CID 166892803) has the molecular formula C11H11ClF3NO and a molecular weight of 265.66 g/mol. Its IUPAC name is 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline.

Molecular Properties

Compound Name5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline
PubChem CID166892803
Molecular FormulaC11H11ClF3NO
Molecular Weight265.66 g/mol
Exact Mass265.05
IUPAC Name5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline
SMILESCOc1cc(C2(C(F)(F)F)CC2)c(Cl)cc1N
InChIInChI=1S/C11H11ClF3NO/c1-17-9-4-6(7(12)5-8(9)16)10(2-3-10)11(13,14)15/h4-5H,2-3,16H2,1H3
InChIKeyPCQVYZJYDGXOQZ-UHFFFAOYSA-N
XLogP3.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.66
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The IUPAC name of 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline (CID 166892803) is 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline.
What is the SMILES notation for 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The canonical SMILES for 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline is COc1cc(C2(C(F)(F)F)CC2)c(Cl)cc1N.
What is the InChIKey of 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline?
The InChIKey is PCQVYZJYDGXOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3NO/c1-17-9-4-6(7(12)5-8(9)16)10(2-3-10)11(13,14)15/h4-5H,2-3,16H2,1H3.
What are the key properties of 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline?
5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline has a molecular weight of 265.66 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-4-[1-(trifluoromethyl)cyclopropyl]aniline is sourced from PubChem (CID 166892803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).