4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline

C13H10ClF2NO — CID 102615048

IUPAC4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
SMILESNc1ccc(OCc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-13(17)12(16)6-10/h1-6H,7,17H2
InChIKeyBYPVUEKKVSQMHX-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.78
Rot. Bonds3

About 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline

4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline (PubChem CID 102615048) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline.

Molecular Properties

Compound Name4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
PubChem CID102615048
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline
SMILESNc1ccc(OCc2cc(F)ccc2Cl)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-13(17)12(16)6-10/h1-6H,7,17H2
InChIKeyBYPVUEKKVSQMHX-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.68
LogP ≤ 53.78
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

(1S)-1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719001
2-[(2-chloro-5-fluorophenyl)methoxy]-4-methoxyaniline
CID 102702452
1-chloro-4-fluoro-2-[(4-iodophenoxy)methyl]benzene
CID 102616175
1-[4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluorophenyl]ethanol
CID 107719703
1-chloro-2-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 102620565
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
4-[(2-chloro-5-fluorophenyl)methoxy]-N-methylaniline
CID 102619550
2-chloro-5-[(5-chloro-2-fluorophenyl)methoxy]aniline
CID 58022040
4-[(2-chloro-5-fluorophenyl)methoxy]benzoic acid
CID 102615075
2-[(2-chloro-5-fluorophenyl)methoxy]-5-methylaniline
CID 102615044
(1R)-1-[3-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanamine
CID 102615235
2-[(3,5-difluorophenoxy)methyl]-4-fluoroaniline
CID 62786342

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline?
The IUPAC name of 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline (CID 102615048) is 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline.
What is the SMILES notation for 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline?
The canonical SMILES for 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline is Nc1ccc(OCc2cc(F)ccc2Cl)cc1F.
What is the InChIKey of 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline?
The InChIKey is BYPVUEKKVSQMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-11-3-1-9(15)5-8(11)7-18-10-2-4-13(17)12(16)6-10/h1-6H,7,17H2.
What are the key properties of 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline?
4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline has a molecular weight of 269.68 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloro-5-fluorophenyl)methoxy]-2-fluoroaniline is sourced from PubChem (CID 102615048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).