1-(chloromethyl)-3-fluoro-5-nitrobenzene

C7H5ClFNO2 — CID 56924386

IUPAC1-(chloromethyl)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(CCl)c1
InChIInChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChIKeyRYCSPDIZWBMOTJ-UHFFFAOYSA-N
MW189.57 g/mol
LogP2.47
Rot. Bonds2

About 1-(chloromethyl)-3-fluoro-5-nitrobenzene

1-(chloromethyl)-3-fluoro-5-nitrobenzene (PubChem CID 56924386) has the molecular formula C7H5ClFNO2 and a molecular weight of 189.57 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluoro-5-nitrobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluoro-5-nitrobenzene
PubChem CID56924386
Molecular FormulaC7H5ClFNO2
Molecular Weight189.57 g/mol
Exact Mass189.00
IUPAC Name1-(chloromethyl)-3-fluoro-5-nitrobenzene
SMILESO=[N+]([O-])c1cc(F)cc(CCl)c1
InChIInChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2
InChIKeyRYCSPDIZWBMOTJ-UHFFFAOYSA-N
XLogP2.47
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.57
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-(3-chloro-2-methylbutyl)-3-fluoro-5-nitrobenzene
CID 112649007
1-(3-chlorohexyl)-3-fluoro-5-nitrobenzene
CID 112649000
3-chloro-5-fluoro-N-[(3-fluoro-5-nitrophenyl)methyl]aniline
CID 107364783
2-[(3-fluoro-5-nitrophenyl)methylamino]ethanol
CID 112646656
4-(chloromethyl)-N-(3-fluoro-5-nitrophenyl)benzamide
CID 107334780
1-chloro-2-[3-(chloromethyl)-5-fluorophenoxy]-4-nitrobenzene
CID 106530691
1-(3-chloro-3-cyclopropylpropyl)-3-fluoro-5-nitrobenzene
CID 112649037
1-(3-fluoro-5-nitrophenyl)pentan-2-amine
CID 112649483
1-(3-fluoro-5-nitrophenyl)-4-methylpentan-3-ol
CID 112648964
N'-[(3-fluoro-5-nitrophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 112648596
[3-chloro-4-[(3-fluoro-5-nitrophenyl)methoxy]phenyl]methanol
CID 115980729
2-fluoro-1-[(3-fluoro-5-nitrophenyl)methoxy]-3-methylbenzene
CID 107662043

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-fluoro-5-nitrobenzene?
The IUPAC name of 1-(chloromethyl)-3-fluoro-5-nitrobenzene (CID 56924386) is 1-(chloromethyl)-3-fluoro-5-nitrobenzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluoro-5-nitrobenzene?
The canonical SMILES for 1-(chloromethyl)-3-fluoro-5-nitrobenzene is O=[N+]([O-])c1cc(F)cc(CCl)c1.
What is the InChIKey of 1-(chloromethyl)-3-fluoro-5-nitrobenzene?
The InChIKey is RYCSPDIZWBMOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClFNO2/c8-4-5-1-6(9)3-7(2-5)10(11)12/h1-3H,4H2.
What are the key properties of 1-(chloromethyl)-3-fluoro-5-nitrobenzene?
1-(chloromethyl)-3-fluoro-5-nitrobenzene has a molecular weight of 189.57 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-fluoro-5-nitrobenzene is sourced from PubChem (CID 56924386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).