4-(2,3-difluorophenoxy)benzene-1,2-diamine

C12H10F2N2O — CID 106748465

IUPAC4-(2,3-difluorophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2cccc(F)c2F)cc1N
InChIInChI=1S/C12H10F2N2O/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6H,15-16H2
InChIKeyNYNAPXYXKSKYFX-UHFFFAOYSA-N
MW236.22 g/mol
LogP2.92
Rot. Bonds2

About 4-(2,3-difluorophenoxy)benzene-1,2-diamine

4-(2,3-difluorophenoxy)benzene-1,2-diamine (PubChem CID 106748465) has the molecular formula C12H10F2N2O and a molecular weight of 236.22 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)benzene-1,2-diamine
PubChem CID106748465
Molecular FormulaC12H10F2N2O
Molecular Weight236.22 g/mol
Exact Mass236.08
IUPAC Name4-(2,3-difluorophenoxy)benzene-1,2-diamine
SMILESNc1ccc(Oc2cccc(F)c2F)cc1N
InChIInChI=1S/C12H10F2N2O/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6H,15-16H2
InChIKeyNYNAPXYXKSKYFX-UHFFFAOYSA-N
XLogP2.92
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2,3-difluorophenoxy)benzenecarbothioamide
CID 63038333
[2-chloro-4-(2,3-difluorophenoxy)phenyl]methanamine
CID 55145340
[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine
CID 118138308
4-(2-fluorophenoxy)-2-methylaniline
CID 26190288
2-bromo-4-(2-fluorophenoxy)aniline
CID 138707019
[2-bromo-4-(2,3-difluorophenoxy)phenyl]hydrazine;hydrochloride
CID 118138307
[4-(2,3-difluorophenoxy)-2-methoxyphenyl]hydrazine;hydrochloride
CID 118138355
5-chloro-2-(2,3-difluorophenoxy)-4-fluoroaniline
CID 66077323
3-(2,3-difluorophenoxy)furan
CID 76539749
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
[4-(2,3-difluorophenoxy)phenyl]boronic acid
CID 140785253
4-(4-bromo-3-fluorophenoxy)benzene-1,2-diamine
CID 106748501

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)benzene-1,2-diamine?
The IUPAC name of 4-(2,3-difluorophenoxy)benzene-1,2-diamine (CID 106748465) is 4-(2,3-difluorophenoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(2,3-difluorophenoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(2,3-difluorophenoxy)benzene-1,2-diamine is Nc1ccc(Oc2cccc(F)c2F)cc1N.
What is the InChIKey of 4-(2,3-difluorophenoxy)benzene-1,2-diamine?
The InChIKey is NYNAPXYXKSKYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O/c13-8-2-1-3-11(12(8)14)17-7-4-5-9(15)10(16)6-7/h1-6H,15-16H2.
What are the key properties of 4-(2,3-difluorophenoxy)benzene-1,2-diamine?
4-(2,3-difluorophenoxy)benzene-1,2-diamine has a molecular weight of 236.22 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)benzene-1,2-diamine is sourced from PubChem (CID 106748465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).