2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene

C13H12FNO3S — CID 107348714

IUPAC2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
SMILESO=[N+]([O-])c1cccc(COCCc2cccs2)c1F
InChIInChI=1S/C13H12FNO3S/c14-13-10(3-1-5-12(13)15(16)17)9-18-7-6-11-4-2-8-19-11/h1-5,8H,6-7,9H2
InChIKeyKIRAUPZFVDXURK-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.55
Rot. Bonds6

About 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene

2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene (PubChem CID 107348714) has the molecular formula C13H12FNO3S and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene.

Molecular Properties

Compound Name2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
PubChem CID107348714
Molecular FormulaC13H12FNO3S
Molecular Weight281.31 g/mol
Exact Mass281.05
IUPAC Name2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene
SMILESO=[N+]([O-])c1cccc(COCCc2cccs2)c1F
InChIInChI=1S/C13H12FNO3S/c14-13-10(3-1-5-12(13)15(16)17)9-18-7-6-11-4-2-8-19-11/h1-5,8H,6-7,9H2
InChIKeyKIRAUPZFVDXURK-UHFFFAOYSA-N
XLogP3.55
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-nitro-6-(2-thiophen-2-ylethoxymethyl)aniline
CID 107352354
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CID 107115192
1-(but-3-enoxymethyl)-2-fluoro-3-nitrobenzene
CID 107348688
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769
2-[2-[(4-bromo-3-nitrophenyl)methoxy]ethyl]thiophene
CID 113335363
3-[(2-fluoro-3-nitrophenyl)methoxymethyl]pentan-3-amine
CID 107349963
N-ethyl-2-nitro-4-(2-thiophen-2-ylethoxymethyl)aniline
CID 62189425
2-thiophen-2-ylethyl nitrate
CID 54344199
2-[(2-fluoro-3-nitrophenyl)methoxy]phenol
CID 107349940
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
CID 107348744
2-[2-[(4-fluorophenyl)methoxy]ethyl]thiophene
CID 19099065
CID 159928766
CID 159928766

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene?
The IUPAC name of 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene (CID 107348714) is 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene.
What is the SMILES notation for 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene?
The canonical SMILES for 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene is O=[N+]([O-])c1cccc(COCCc2cccs2)c1F.
What is the InChIKey of 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene?
The InChIKey is KIRAUPZFVDXURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO3S/c14-13-10(3-1-5-12(13)15(16)17)9-18-7-6-11-4-2-8-19-11/h1-5,8H,6-7,9H2.
What are the key properties of 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene?
2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene has a molecular weight of 281.31 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluoro-3-nitrophenyl)methoxy]ethyl]thiophene is sourced from PubChem (CID 107348714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).