1-fluoro-4-[(1S)-1-nitrosoethyl]benzene

C8H8FNO — CID 89270083

IUPAC1-fluoro-4-[(1S)-1-nitrosoethyl]benzene
SMILESC[C@H](N=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3/t6-/m0/s1
InChIKeyJYYRWLWUVAGVTK-LURJTMIESA-N
MW153.16 g/mol
LogP2.65
Rot. Bonds2

About 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene

1-fluoro-4-[(1S)-1-nitrosoethyl]benzene (PubChem CID 89270083) has the molecular formula C8H8FNO and a molecular weight of 153.16 g/mol. Its IUPAC name is 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(1S)-1-nitrosoethyl]benzene
PubChem CID89270083
Molecular FormulaC8H8FNO
Molecular Weight153.16 g/mol
Exact Mass153.06
IUPAC Name1-fluoro-4-[(1S)-1-nitrosoethyl]benzene
SMILESC[C@H](N=O)c1ccc(F)cc1
InChIInChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3/t6-/m0/s1
InChIKeyJYYRWLWUVAGVTK-LURJTMIESA-N
XLogP2.65
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.16
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene?
The IUPAC name of 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene (CID 89270083) is 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene is C[C@H](N=O)c1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene?
The InChIKey is JYYRWLWUVAGVTK-LURJTMIESA-N. The full InChI is InChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-6H,1H3/t6-/m0/s1.
What are the key properties of 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene?
1-fluoro-4-[(1S)-1-nitrosoethyl]benzene has a molecular weight of 153.16 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(1S)-1-nitrosoethyl]benzene is sourced from PubChem (CID 89270083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).