3-chloro-4-(2,5-difluorophenoxy)aniline

C12H8ClF2NO — CID 63268649

IUPAC3-chloro-4-(2,5-difluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-9-6-8(16)2-4-11(9)17-12-5-7(14)1-3-10(12)15/h1-6H,16H2
InChIKeyUNNUOWSDVVGRKM-UHFFFAOYSA-N
MW255.65 g/mol
LogP3.99
Rot. Bonds2

About 3-chloro-4-(2,5-difluorophenoxy)aniline

3-chloro-4-(2,5-difluorophenoxy)aniline (PubChem CID 63268649) has the molecular formula C12H8ClF2NO and a molecular weight of 255.65 g/mol. Its IUPAC name is 3-chloro-4-(2,5-difluorophenoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(2,5-difluorophenoxy)aniline
PubChem CID63268649
Molecular FormulaC12H8ClF2NO
Molecular Weight255.65 g/mol
Exact Mass255.03
IUPAC Name3-chloro-4-(2,5-difluorophenoxy)aniline
SMILESNc1ccc(Oc2cc(F)ccc2F)c(Cl)c1
InChIInChI=1S/C12H8ClF2NO/c13-9-6-8(16)2-4-11(9)17-12-5-7(14)1-3-10(12)15/h1-6H,16H2
InChIKeyUNNUOWSDVVGRKM-UHFFFAOYSA-N
XLogP3.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.65
LogP ≤ 53.99
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

3-chloro-4-(2,5-difluorophenoxy)benzenesulfonamide
CID 63268736
4-(2-chloro-4-fluorophenoxy)-3-(4-fluorophenoxy)aniline
CID 139337332
5-amino-2-(2,5-difluorophenoxy)benzonitrile
CID 55167360
4-(2-chloro-4-fluorophenoxy)-3,5-difluoroaniline
CID 54902948
4-(2-aminophenoxy)-3-chloroaniline
CID 66486738
5-chloro-2-(2-chloro-4-fluorophenoxy)-4-fluoroaniline
CID 66077320
2-[5-chloro-2-(2-chloro-4-fluorophenoxy)phenyl]ethanamine
CID 114862601
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylmethanamine
CID 81155141
1-[3-chloro-4-(2,5-difluorophenoxy)phenyl]-N-methylethanamine
CID 63269825
5-amino-3-chloro-2-(2,5-difluorophenoxy)benzoic acid
CID 107197867
3,5-dichloro-6-(2,5-difluorophenoxy)pyridin-2-amine
CID 102760964
2-(4-chlorophenoxy)-1,4-difluorobenzene
CID 141112075

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,5-difluorophenoxy)aniline?
The IUPAC name of 3-chloro-4-(2,5-difluorophenoxy)aniline (CID 63268649) is 3-chloro-4-(2,5-difluorophenoxy)aniline.
What is the SMILES notation for 3-chloro-4-(2,5-difluorophenoxy)aniline?
The canonical SMILES for 3-chloro-4-(2,5-difluorophenoxy)aniline is Nc1ccc(Oc2cc(F)ccc2F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,5-difluorophenoxy)aniline?
The InChIKey is UNNUOWSDVVGRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2NO/c13-9-6-8(16)2-4-11(9)17-12-5-7(14)1-3-10(12)15/h1-6H,16H2.
What are the key properties of 3-chloro-4-(2,5-difluorophenoxy)aniline?
3-chloro-4-(2,5-difluorophenoxy)aniline has a molecular weight of 255.65 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,5-difluorophenoxy)aniline is sourced from PubChem (CID 63268649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).