2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene

C13H9ClFNO3 — CID 154939680

IUPAC2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-8-2-4-10(7-11(8)14)19-13-5-3-9(16(17)18)6-12(13)15/h2-7H,1H3
InChIKeyHJNIFSCLWIGSIP-UHFFFAOYSA-N
MW281.67 g/mol
LogP4.49
Rot. Bonds3

About 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene

2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene (PubChem CID 154939680) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene.

Molecular Properties

Compound Name2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
PubChem CID154939680
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Name2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1Cl
InChIInChI=1S/C13H9ClFNO3/c1-8-2-4-10(7-11(8)14)19-13-5-3-9(16(17)18)6-12(13)15/h2-7H,1H3
InChIKeyHJNIFSCLWIGSIP-UHFFFAOYSA-N
XLogP4.49
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 54.49
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-fluoro-4-methylphenoxy)-5-nitrobenzoic acid
CID 107168817
1-(2-fluoro-4-nitrophenoxy)-2,4-dimethylbenzene
CID 101232592
2-chloro-5-(2-methyl-4-nitrophenoxy)benzoic acid
CID 106502842
(1S)-1-[4-(2-fluoro-4-nitrophenoxy)phenyl]ethanamine
CID 63370003
2-chloro-1-(4-methylphenoxy)-4-nitrobenzene
CID 2210667
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409
N-(3-chloro-4-methylphenyl)-1-[4-(2,4-dinitrophenoxy)phenyl]methanimine
CID 126220781
3-chloro-4-(2-fluoro-4-nitrophenoxy)benzaldehyde
CID 47453575
[3-(2-fluoro-4-nitrophenoxy)-4-methylphenyl]methanamine
CID 105407172
4-chloro-6-(2-fluoro-4-nitrophenoxy)-2,5-dimethylpyrimidine
CID 63734189
1-[3-(2-fluoro-4-nitrophenoxy)phenyl]ethanone
CID 47184501
2-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene?
The IUPAC name of 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene (CID 154939680) is 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene.
What is the SMILES notation for 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene?
The canonical SMILES for 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene is Cc1ccc(Oc2ccc([N+](=O)[O-])cc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene?
The InChIKey is HJNIFSCLWIGSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-8-2-4-10(7-11(8)14)19-13-5-3-9(16(17)18)6-12(13)15/h2-7H,1H3.
What are the key properties of 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene?
2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene has a molecular weight of 281.67 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-fluoro-4-nitrophenoxy)-1-methylbenzene is sourced from PubChem (CID 154939680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).