6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol

C8H8ClF2NO3S — CID 118540487

IUPAC6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol
SMILESCC(F)(F)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C8H8ClF2NO3S/c1-8(10,11)16(14,15)7-4(9)2-3-5(12)6(7)13/h2-3,13H,12H2,1H3
InChIKeyDQYZQMFWWQNKGC-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.01
Rot. Bonds2

About 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol

6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol (PubChem CID 118540487) has the molecular formula C8H8ClF2NO3S and a molecular weight of 271.67 g/mol. Its IUPAC name is 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol.

Molecular Properties

Compound Name6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol
PubChem CID118540487
Molecular FormulaC8H8ClF2NO3S
Molecular Weight271.67 g/mol
Exact Mass270.99
IUPAC Name6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol
SMILESCC(F)(F)S(=O)(=O)c1c(Cl)ccc(N)c1O
InChIInChI=1S/C8H8ClF2NO3S/c1-8(10,11)16(14,15)7-4(9)2-3-5(12)6(7)13/h2-3,13H,12H2,1H3
InChIKeyDQYZQMFWWQNKGC-UHFFFAOYSA-N
XLogP2.01
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol?
The IUPAC name of 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol (CID 118540487) is 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol.
What is the SMILES notation for 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol?
The canonical SMILES for 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol is CC(F)(F)S(=O)(=O)c1c(Cl)ccc(N)c1O.
What is the InChIKey of 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol?
The InChIKey is DQYZQMFWWQNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO3S/c1-8(10,11)16(14,15)7-4(9)2-3-5(12)6(7)13/h2-3,13H,12H2,1H3.
What are the key properties of 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol?
6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol has a molecular weight of 271.67 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-chloro-2-(1,1-difluoroethylsulfonyl)phenol is sourced from PubChem (CID 118540487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).