4-chloro-2-(difluoromethoxy)aniline

C7H6ClF2NO — CID 19439738

IUPAC4-chloro-2-(difluoromethoxy)aniline
SMILESNc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C7H6ClF2NO/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7H,11H2
InChIKeyFFXMBGSSJPLQGP-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-2-(difluoromethoxy)aniline

4-chloro-2-(difluoromethoxy)aniline (PubChem CID 19439738) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 4-chloro-2-(difluoromethoxy)aniline.

Molecular Properties

Compound Name4-chloro-2-(difluoromethoxy)aniline
PubChem CID19439738
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name4-chloro-2-(difluoromethoxy)aniline
SMILESNc1ccc(Cl)cc1OC(F)F
InChIInChI=1S/C7H6ClF2NO/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7H,11H2
InChIKeyFFXMBGSSJPLQGP-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.52
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

4-chloro-2-(difluoromethoxy)-1-propan-2-ylbenzene
CID 71127951
[4-chloro-2-(difluoromethoxy)phenyl]methylidenehydrazine
CID 168529149
5-chloro-2-(difluoromethoxy)benzenethiol
CID 130775302
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
4-chloro-2-(difluoromethoxy)benzoyl chloride
CID 131010858
[5-chloro-2-(difluoromethoxy)phenyl]hydrazine;hydrochloride
CID 165125557
2-amino-4-chloro-6-(difluoromethoxy)benzonitrile
CID 171011900
2-chloro-4-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]aniline
CID 79130546
4-bromo-2-[[5-chloro-2-(difluoromethoxy)phenyl]methylsulfanyl]aniline
CID 79524669
2-(2-amino-5-chlorophenoxy)-N,N-dimethylpropanamide
CID 62303980
2-(difluoromethoxy)-4-(1,1,1,2,3,3,4,4,4-nonafluorobutan-2-yl)aniline
CID 87192436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(difluoromethoxy)aniline?
The IUPAC name of 4-chloro-2-(difluoromethoxy)aniline (CID 19439738) is 4-chloro-2-(difluoromethoxy)aniline.
What is the SMILES notation for 4-chloro-2-(difluoromethoxy)aniline?
The canonical SMILES for 4-chloro-2-(difluoromethoxy)aniline is Nc1ccc(Cl)cc1OC(F)F.
What is the InChIKey of 4-chloro-2-(difluoromethoxy)aniline?
The InChIKey is FFXMBGSSJPLQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-4-1-2-5(11)6(3-4)12-7(9)10/h1-3,7H,11H2.
What are the key properties of 4-chloro-2-(difluoromethoxy)aniline?
4-chloro-2-(difluoromethoxy)aniline has a molecular weight of 193.58 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(difluoromethoxy)aniline is sourced from PubChem (CID 19439738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).