1-fluoro-4-(nitrosomethyl)benzene

C7H6FNO — CID 54059707

IUPAC1-fluoro-4-(nitrosomethyl)benzene
SMILESO=NCc1ccc(F)cc1
InChIInChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4H,5H2
InChIKeyLYUNTQMDKDIIKH-UHFFFAOYSA-N
MW139.13 g/mol
LogP2.09
Rot. Bonds2

About 1-fluoro-4-(nitrosomethyl)benzene

1-fluoro-4-(nitrosomethyl)benzene (PubChem CID 54059707) has the molecular formula C7H6FNO and a molecular weight of 139.13 g/mol. Its IUPAC name is 1-fluoro-4-(nitrosomethyl)benzene.

Molecular Properties

Compound Name1-fluoro-4-(nitrosomethyl)benzene
PubChem CID54059707
Molecular FormulaC7H6FNO
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name1-fluoro-4-(nitrosomethyl)benzene
SMILESO=NCc1ccc(F)cc1
InChIInChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4H,5H2
InChIKeyLYUNTQMDKDIIKH-UHFFFAOYSA-N
XLogP2.09
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(nitrosomethyl)benzene?
The IUPAC name of 1-fluoro-4-(nitrosomethyl)benzene (CID 54059707) is 1-fluoro-4-(nitrosomethyl)benzene.
What is the SMILES notation for 1-fluoro-4-(nitrosomethyl)benzene?
The canonical SMILES for 1-fluoro-4-(nitrosomethyl)benzene is O=NCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-(nitrosomethyl)benzene?
The InChIKey is LYUNTQMDKDIIKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNO/c8-7-3-1-6(2-4-7)5-9-10/h1-4H,5H2.
What are the key properties of 1-fluoro-4-(nitrosomethyl)benzene?
1-fluoro-4-(nitrosomethyl)benzene has a molecular weight of 139.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(nitrosomethyl)benzene is sourced from PubChem (CID 54059707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).