2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene

C14H11Cl2FO — CID 112652526

IUPAC2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
SMILESFc1cccc(COc2cccc(CCl)c2)c1Cl
InChIInChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(17)14(11)16/h1-7H,8-9H2
InChIKeyJUFAZKYAIYKPQW-UHFFFAOYSA-N
MW285.15 g/mol
LogP4.80
Rot. Bonds4

About 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene

2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene (PubChem CID 112652526) has the molecular formula C14H11Cl2FO and a molecular weight of 285.15 g/mol. Its IUPAC name is 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene.

Molecular Properties

Compound Name2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
PubChem CID112652526
Molecular FormulaC14H11Cl2FO
Molecular Weight285.15 g/mol
Exact Mass284.02
IUPAC Name2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
SMILESFc1cccc(COc2cccc(CCl)c2)c1Cl
InChIInChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(17)14(11)16/h1-7H,8-9H2
InChIKeyJUFAZKYAIYKPQW-UHFFFAOYSA-N
XLogP4.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.15
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[[3-(chloromethyl)phenoxy]methyl]-2,3-difluorobenzene
CID 43658993
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
1-chloro-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 29299545
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
4-bromo-1-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 43438767
1-bromo-2-[[3-(chloromethyl)phenoxy]methyl]benzene
CID 28543153
4-[[3-(chloromethyl)phenoxy]methyl]-1,2-difluorobenzene
CID 82918632
4-[(2-chloro-3-fluorophenyl)methoxy]phenol
CID 112652557
1-[3-[(2-chloro-3-fluorophenyl)methoxy]phenyl]ethanone
CID 112549927
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene?
The IUPAC name of 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene (CID 112652526) is 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene.
What is the SMILES notation for 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene?
The canonical SMILES for 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene is Fc1cccc(COc2cccc(CCl)c2)c1Cl.
What is the InChIKey of 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene?
The InChIKey is JUFAZKYAIYKPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO/c15-8-10-3-1-5-12(7-10)18-9-11-4-2-6-13(17)14(11)16/h1-7H,8-9H2.
What are the key properties of 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene?
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene has a molecular weight of 285.15 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene is sourced from PubChem (CID 112652526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).