1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene

C14H11ClFNO3 — CID 107348744

IUPAC1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COCc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11ClFNO3/c15-12-5-1-3-10(7-12)8-20-9-11-4-2-6-13(14(11)16)17(18)19/h1-7H,8-9H2
InChIKeyYLFPSXNSJAUZMX-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.10
Rot. Bonds5

About 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene

1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene (PubChem CID 107348744) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
PubChem CID107348744
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene
SMILESO=[N+]([O-])c1cccc(COCc2cccc(Cl)c2)c1F
InChIInChI=1S/C14H11ClFNO3/c15-12-5-1-3-10(7-12)8-20-9-11-4-2-6-13(14(11)16)17(18)19/h1-7H,8-9H2
InChIKeyYLFPSXNSJAUZMX-UHFFFAOYSA-N
XLogP4.10
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.70
LogP ≤ 54.10
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

2-[(3-chlorophenyl)methoxymethyl]-6-nitroaniline
CID 107352414
1,3,5-trichloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzene
CID 107348680
1-[(4-chloro-2-methylphenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348630
4-chloro-2-[(2-fluoro-3-nitrophenyl)methoxy]benzonitrile
CID 107349534
1-(but-3-enoxymethyl)-2-fluoro-3-nitrobenzene
CID 107348688
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769
1-[(2,5-difluorophenoxy)methyl]-2-fluoro-3-nitrobenzene
CID 107348727
1-[[4-(bromomethyl)-2-chlorophenoxy]methyl]-2-fluoro-3-nitrobenzene
CID 107349917
1-chloro-2-nitro-4-(phenylmethoxymethyl)benzene
CID 43350358
4-chloro-2-fluoro-1-[(4-nitrophenyl)methoxymethyl]benzene
CID 155534061
3-[(2-fluoro-3-nitrophenyl)methoxymethyl]pentan-3-amine
CID 107349963
1-(bromomethyl)-2-fluoro-3-nitrobenzene
CID 59139151

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene?
The IUPAC name of 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene (CID 107348744) is 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene.
What is the SMILES notation for 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene?
The canonical SMILES for 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene is O=[N+]([O-])c1cccc(COCc2cccc(Cl)c2)c1F.
What is the InChIKey of 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene?
The InChIKey is YLFPSXNSJAUZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-12-5-1-3-10(7-12)8-20-9-11-4-2-6-13(14(11)16)17(18)19/h1-7H,8-9H2.
What are the key properties of 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene?
1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene has a molecular weight of 295.70 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methoxymethyl]-2-fluoro-3-nitrobenzene is sourced from PubChem (CID 107348744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).