2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene

C14H11ClFNO3 — CID 43473008

IUPAC2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2F)c(CCl)c1
InChIInChI=1S/C14H11ClFNO3/c15-8-11-7-12(17(18)19)5-6-14(11)20-9-10-3-1-2-4-13(10)16/h1-7H,8-9H2
InChIKeyCAFDCUPZIDZYTC-UHFFFAOYSA-N
MW295.70 g/mol
LogP4.05
Rot. Bonds5

About 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene

2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene (PubChem CID 43473008) has the molecular formula C14H11ClFNO3 and a molecular weight of 295.70 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene.

Molecular Properties

Compound Name2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
PubChem CID43473008
Molecular FormulaC14H11ClFNO3
Molecular Weight295.70 g/mol
Exact Mass295.04
IUPAC Name2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene
SMILESO=[N+]([O-])c1ccc(OCc2ccccc2F)c(CCl)c1
InChIInChI=1S/C14H11ClFNO3/c15-8-11-7-12(17(18)19)5-6-14(11)20-9-10-3-1-2-4-13(10)16/h1-7H,8-9H2
InChIKeyCAFDCUPZIDZYTC-UHFFFAOYSA-N
XLogP4.05
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 ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-[[2-(chloromethyl)-4-nitrophenoxy]methyl]-1,3-difluorobenzene
CID 114930597
2-(chloromethyl)-1-[(2,4-dichlorophenyl)methoxy]-4-nitrobenzene
CID 43473004
2-[(2-fluorophenyl)methoxy]-5-nitrobenzamide
CID 91681710
2-[[2-(chloromethyl)phenoxy]methyl]-4-fluoro-1-nitrobenzene
CID 43443680
4-bromo-2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]benzene
CID 28981507
[2-[(5-chloro-2-fluorophenyl)methoxy]-5-nitrophenyl]methanamine
CID 103046384
N-[[5-chloro-2-[(2-fluorophenyl)methoxy]phenyl]methyl]-N'-(2-chloro-4-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 17292449
2-(chloromethyl)-1-(4-fluorophenoxy)-4-nitrobenzene
CID 28964827
2-(chloromethyl)-1-(difluoromethoxy)-4-nitrobenzene
CID 43472992
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
1-chloro-2-[(2,5-difluorophenoxy)methyl]-4-nitrobenzene
CID 63269550
[2-[(5-bromo-2-fluorophenyl)methoxy]-5-nitrophenyl]methanol
CID 43472893

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene?
The IUPAC name of 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene (CID 43473008) is 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene.
What is the SMILES notation for 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene?
The canonical SMILES for 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene is O=[N+]([O-])c1ccc(OCc2ccccc2F)c(CCl)c1.
What is the InChIKey of 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene?
The InChIKey is CAFDCUPZIDZYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3/c15-8-11-7-12(17(18)19)5-6-14(11)20-9-10-3-1-2-4-13(10)16/h1-7H,8-9H2.
What are the key properties of 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene?
2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene has a molecular weight of 295.70 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[(2-fluorophenyl)methoxy]-4-nitrobenzene is sourced from PubChem (CID 43473008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).