2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol

C10H10FNO3 — CID 107693509

IUPAC2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
SMILESCC/C(=C/c1ccc(O)c(F)c1)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-8(12(14)15)5-7-3-4-10(13)9(11)6-7/h3-6,13H,2H2,1H3/b8-5-
InChIKeyXPLSVNFYOOLCOT-YVMONPNESA-N
MW211.19 g/mol
LogP2.56
Rot. Bonds3

About 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol

2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol (PubChem CID 107693509) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
PubChem CID107693509
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
SMILESCC/C(=C/c1ccc(O)c(F)c1)[N+](=O)[O-]
InChIInChI=1S/C10H10FNO3/c1-2-8(12(14)15)5-7-3-4-10(13)9(11)6-7/h3-6,13H,2H2,1H3/b8-5-
InChIKeyXPLSVNFYOOLCOT-YVMONPNESA-N
XLogP2.56
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol?
The IUPAC name of 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol (CID 107693509) is 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol.
What is the SMILES notation for 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol?
The canonical SMILES for 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol is CC/C(=C/c1ccc(O)c(F)c1)[N+](=O)[O-].
What is the InChIKey of 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol?
The InChIKey is XPLSVNFYOOLCOT-YVMONPNESA-N. The full InChI is InChI=1S/C10H10FNO3/c1-2-8(12(14)15)5-7-3-4-10(13)9(11)6-7/h3-6,13H,2H2,1H3/b8-5-.
What are the key properties of 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol?
2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol has a molecular weight of 211.19 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol is sourced from PubChem (CID 107693509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).