4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene

C14H11ClFNO4 — CID 61031938

IUPAC4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-20-13-5-3-10(17(18)19)7-14(13)21-12-4-2-9(8-15)6-11(12)16/h2-7H,8H2,1H3
InChIKeyQBEXXRYXNCDGJJ-UHFFFAOYSA-N
MW311.70 g/mol
LogP4.27
Rot. Bonds5

About 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene

4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene (PubChem CID 61031938) has the molecular formula C14H11ClFNO4 and a molecular weight of 311.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
PubChem CID61031938
Molecular FormulaC14H11ClFNO4
Molecular Weight311.70 g/mol
Exact Mass311.04
IUPAC Name4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C14H11ClFNO4/c1-20-13-5-3-10(17(18)19)7-14(13)21-12-4-2-9(8-15)6-11(12)16/h2-7H,8H2,1H3
InChIKeyQBEXXRYXNCDGJJ-UHFFFAOYSA-N
XLogP4.27
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.70
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[4-(chloromethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 61032468
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(chloromethyl)-2-fluoro-1-(4-nitrophenoxy)benzene
CID 54915517
1,3-dichloro-2-[4-(chloromethyl)-2-fluorophenoxy]-5-nitrobenzene
CID 63565721
4-(chloromethyl)-2-fluoro-1-[(4-nitrophenyl)methoxy]benzene
CID 107691106
2-[4-(bromomethyl)-2-fluorophenoxy]-1-methyl-4-nitrobenzene
CID 107088099
[4-(2-chloro-5-nitrophenoxy)-3-fluorophenyl]methanamine
CID 63992772
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanol
CID 114846141
4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
5-chloro-2-(2-methoxy-5-nitrophenoxy)benzonitrile
CID 62493404
1-[4-(2-methoxy-5-nitrophenoxy)phenyl]-N-methylmethanamine
CID 61032053
[4-chloro-2-(2-methoxy-5-nitrophenoxy)phenyl]methanamine
CID 114856723

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene (CID 61031938) is 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene is COc1ccc([N+](=O)[O-])cc1Oc1ccc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene?
The InChIKey is QBEXXRYXNCDGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO4/c1-20-13-5-3-10(17(18)19)7-14(13)21-12-4-2-9(8-15)6-11(12)16/h2-7H,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene?
4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene has a molecular weight of 311.70 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene is sourced from PubChem (CID 61031938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).