5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline

C13H10ClF2NO — CID 146470006

IUPAC5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
SMILESNc1cc(Cl)c(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-10-5-12(17)11(16)6-13(10)18-7-8-2-1-3-9(15)4-8/h1-6H,7,17H2
InChIKeyCJMOZWOLQCTBSL-UHFFFAOYSA-N
MW269.68 g/mol
LogP3.78
Rot. Bonds3

About 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline

5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline (PubChem CID 146470006) has the molecular formula C13H10ClF2NO and a molecular weight of 269.68 g/mol. Its IUPAC name is 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
PubChem CID146470006
Molecular FormulaC13H10ClF2NO
Molecular Weight269.68 g/mol
Exact Mass269.04
IUPAC Name5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline
SMILESNc1cc(Cl)c(OCc2cccc(F)c2)cc1F
InChIInChI=1S/C13H10ClF2NO/c14-10-5-12(17)11(16)6-13(10)18-7-8-2-1-3-9(15)4-8/h1-6H,7,17H2
InChIKeyCJMOZWOLQCTBSL-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

1,4-dichloro-2-[(3-fluorophenyl)methoxy]benzene
CID 71651487
N-[2-amino-4-chloro-5-[(3-fluorophenyl)methoxy]phenyl]-2-hydroxyacetamide
CID 135358852
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
2-chloro-5-[(3-fluorophenyl)methoxy]aniline
CID 39355675
3-chloro-4-[(3-fluorophenyl)methoxy]benzenesulfonyl chloride
CID 43108388
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
4-chloro-N-[[3-chloro-4-[(3-fluorophenyl)methoxy]phenyl]methyl]aniline
CID 3875368
4-chloro-2-[(3-fluorophenyl)methoxy]benzenecarbothioamide
CID 114323062
5-chloro-2-[(4-chlorophenyl)methoxy]-4-fluoroaniline
CID 66076942
4-[(3-fluorophenyl)methoxy]-3-methylaniline
CID 22137933
4-bromo-3-[(3-fluorophenyl)methoxy]aniline
CID 103008828
4-[(4-chloro-3-fluorophenyl)methoxy]naphthalen-1-amine
CID 107878057

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline?
The IUPAC name of 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline (CID 146470006) is 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline?
The canonical SMILES for 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline is Nc1cc(Cl)c(OCc2cccc(F)c2)cc1F.
What is the InChIKey of 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline?
The InChIKey is CJMOZWOLQCTBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClF2NO/c14-10-5-12(17)11(16)6-13(10)18-7-8-2-1-3-9(15)4-8/h1-6H,7,17H2.
What are the key properties of 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline?
5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline 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 5-chloro-2-fluoro-4-[(3-fluorophenyl)methoxy]aniline is sourced from PubChem (CID 146470006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).