3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran

C15H10FNO3 — CID 71501700

IUPAC3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran
SMILESO=[N+]([O-])c1oc2ccccc2c1Cc1ccccc1F
InChIInChI=1S/C15H10FNO3/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)20-15(12)17(18)19/h1-8H,9H2
InChIKeyZXZKTXPUECRMEQ-UHFFFAOYSA-N
MW271.25 g/mol
LogP4.07
Rot. Bonds3

About 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran

3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran (PubChem CID 71501700) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran
PubChem CID71501700
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran
SMILESO=[N+]([O-])c1oc2ccccc2c1Cc1ccccc1F
InChIInChI=1S/C15H10FNO3/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)20-15(12)17(18)19/h1-8H,9H2
InChIKeyZXZKTXPUECRMEQ-UHFFFAOYSA-N
XLogP4.07
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 54.07
H-Bond Donors ≤ 50
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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Related Compounds

3-butyl-2-nitro-1-benzofuran
CID 71501525
N-[(2-fluorophenyl)methyl]dibenzofuran-3-amine
CID 2972003
N-[(2-fluorophenyl)methyl]-1-(2-nitrophenyl)methanamine
CID 28582574
N-[[2-[(2-fluorophenyl)methyl]-3-nitrophenyl]methylidene]hydroxylamine
CID 154216474
[2-[(2-fluorophenyl)methoxymethyl]-1-benzofuran-3-yl]methanamine
CID 63937784
N-dibenzofuran-3-yl-3-(2-fluorophenyl)propanamide
CID 100553789
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
5-bromo-3-[(4-methylphenyl)methyl]-2-nitro-1-benzofuran
CID 71501877
N-[2-(2-fluorophenyl)ethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 18204711
[2-(2-nitrophenyl)-1-benzofuran-3-yl]methanol
CID 11149875
2-(2-methyl-1-benzofuran-3-yl)acetyl chloride
CID 142975043
6-chloro-3-[(2-fluoro-3-nitrophenyl)methyl]-4-methylchromen-2-one
CID 174695864

Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran?
The IUPAC name of 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran (CID 71501700) is 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran.
What is the SMILES notation for 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran?
The canonical SMILES for 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran is O=[N+]([O-])c1oc2ccccc2c1Cc1ccccc1F.
What is the InChIKey of 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran?
The InChIKey is ZXZKTXPUECRMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-13-7-3-1-5-10(13)9-12-11-6-2-4-8-14(11)20-15(12)17(18)19/h1-8H,9H2.
What are the key properties of 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran?
3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran has a molecular weight of 271.25 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methyl]-2-nitro-1-benzofuran is sourced from PubChem (CID 71501700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).