2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

C17H14FNO4 — CID 156781289

IUPAC2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(C)o2)c2ccc(F)cc2[N+](=O)[O-])o1
InChIInChI=1S/C17H14FNO4/c1-10-3-7-15(22-10)17(16-8-4-11(2)23-16)13-6-5-12(18)9-14(13)19(20)21/h3-9,17H,1-2H3
InChIKeyFZVVMRPAHQAQPR-UHFFFAOYSA-N
MW315.30 g/mol
LogP4.72
Rot. Bonds4

About 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran

2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran (PubChem CID 156781289) has the molecular formula C17H14FNO4 and a molecular weight of 315.30 g/mol. Its IUPAC name is 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran.

Molecular Properties

Compound Name2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
PubChem CID156781289
Molecular FormulaC17H14FNO4
Molecular Weight315.30 g/mol
Exact Mass315.09
IUPAC Name2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran
SMILESCc1ccc(C(c2ccc(C)o2)c2ccc(F)cc2[N+](=O)[O-])o1
InChIInChI=1S/C17H14FNO4/c1-10-3-7-15(22-10)17(16-8-4-11(2)23-16)13-6-5-12(18)9-14(13)19(20)21/h3-9,17H,1-2H3
InChIKeyFZVVMRPAHQAQPR-UHFFFAOYSA-N
XLogP4.72
TPSA69.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The IUPAC name of 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran (CID 156781289) is 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran.
What is the SMILES notation for 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The canonical SMILES for 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran is Cc1ccc(C(c2ccc(C)o2)c2ccc(F)cc2[N+](=O)[O-])o1.
What is the InChIKey of 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
The InChIKey is FZVVMRPAHQAQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO4/c1-10-3-7-15(22-10)17(16-8-4-11(2)23-16)13-6-5-12(18)9-14(13)19(20)21/h3-9,17H,1-2H3.
What are the key properties of 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran?
2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran has a molecular weight of 315.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-nitrophenyl)-(5-methylfuran-2-yl)methyl]-5-methylfuran is sourced from PubChem (CID 156781289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).