4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol

C13H8ClF2NO2 — CID 90773839

IUPAC4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol
SMILESO=NCc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-10-3-7(1-2-8(10)6-17-19)9-4-11(15)13(18)12(16)5-9/h1-5,18H,6H2
InChIKeyGXHJRCVBNQPBKV-UHFFFAOYSA-N
MW283.66 g/mol
LogP4.26
Rot. Bonds3

About 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol

4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol (PubChem CID 90773839) has the molecular formula C13H8ClF2NO2 and a molecular weight of 283.66 g/mol. Its IUPAC name is 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol
PubChem CID90773839
Molecular FormulaC13H8ClF2NO2
Molecular Weight283.66 g/mol
Exact Mass283.02
IUPAC Name4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol
SMILESO=NCc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl
InChIInChI=1S/C13H8ClF2NO2/c14-10-3-7(1-2-8(10)6-17-19)9-4-11(15)13(18)12(16)5-9/h1-5,18H,6H2
InChIKeyGXHJRCVBNQPBKV-UHFFFAOYSA-N
XLogP4.26
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.66
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol?
The IUPAC name of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol (CID 90773839) is 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol?
The canonical SMILES for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol is O=NCc1ccc(-c2cc(F)c(O)c(F)c2)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol?
The InChIKey is GXHJRCVBNQPBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2NO2/c14-10-3-7(1-2-8(10)6-17-19)9-4-11(15)13(18)12(16)5-9/h1-5,18H,6H2.
What are the key properties of 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol?
4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol has a molecular weight of 283.66 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(nitrosomethyl)phenyl]-2,6-difluorophenol is sourced from PubChem (CID 90773839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).