3-chloro-4-(2,2-difluoroethoxy)aniline

C8H8ClF2NO — CID 19627873

IUPAC3-chloro-4-(2,2-difluoroethoxy)aniline
SMILESNc1ccc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF2NO/c9-6-3-5(12)1-2-7(6)13-4-8(10)11/h1-3,8H,4,12H2
InChIKeyGBJMFEWPRHZXOW-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.57
Rot. Bonds3

About 3-chloro-4-(2,2-difluoroethoxy)aniline

3-chloro-4-(2,2-difluoroethoxy)aniline (PubChem CID 19627873) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 3-chloro-4-(2,2-difluoroethoxy)aniline.

Molecular Properties

Compound Name3-chloro-4-(2,2-difluoroethoxy)aniline
PubChem CID19627873
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name3-chloro-4-(2,2-difluoroethoxy)aniline
SMILESNc1ccc(OCC(F)F)c(Cl)c1
InChIInChI=1S/C8H8ClF2NO/c9-6-3-5(12)1-2-7(6)13-4-8(10)11/h1-3,8H,4,12H2
InChIKeyGBJMFEWPRHZXOW-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)aniline?
The IUPAC name of 3-chloro-4-(2,2-difluoroethoxy)aniline (CID 19627873) is 3-chloro-4-(2,2-difluoroethoxy)aniline.
What is the SMILES notation for 3-chloro-4-(2,2-difluoroethoxy)aniline?
The canonical SMILES for 3-chloro-4-(2,2-difluoroethoxy)aniline is Nc1ccc(OCC(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2,2-difluoroethoxy)aniline?
The InChIKey is GBJMFEWPRHZXOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-6-3-5(12)1-2-7(6)13-4-8(10)11/h1-3,8H,4,12H2.
What are the key properties of 3-chloro-4-(2,2-difluoroethoxy)aniline?
3-chloro-4-(2,2-difluoroethoxy)aniline has a molecular weight of 207.61 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2,2-difluoroethoxy)aniline is sourced from PubChem (CID 19627873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).