1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene

C14H10Cl2F2O — CID 107698873

IUPAC1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
SMILESFc1ccc(OCc2cccc(F)c2Cl)c(CCl)c1
InChIInChI=1S/C14H10Cl2F2O/c15-7-10-6-11(17)4-5-13(10)19-8-9-2-1-3-12(18)14(9)16/h1-6H,7-8H2
InChIKeyARUGVFDOUWBCSJ-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.94
Rot. Bonds4

About 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene

1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene (PubChem CID 107698873) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
PubChem CID107698873
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
SMILESFc1ccc(OCc2cccc(F)c2Cl)c(CCl)c1
InChIInChI=1S/C14H10Cl2F2O/c15-7-10-6-11(17)4-5-13(10)19-8-9-2-1-3-12(18)14(9)16/h1-6H,7-8H2
InChIKeyARUGVFDOUWBCSJ-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 54.94
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-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
(1S)-1-[2-[(2-chloro-3-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 103954698
2-chloro-1-fluoro-3-[(2-iodophenoxy)methyl]benzene
CID 112652323
2-[2-[(3-chloro-2-fluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 107699919
[2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]-trifluoroboranuide
CID 115983156
1-bromo-2-[(2-chloro-3-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 112652534
[4-[(2-chloro-3-fluorophenyl)methoxy]-3-fluorophenyl]methanamine
CID 107686266
1-[[2-(chloromethyl)-4-methylphenoxy]methyl]-2,3-difluorobenzene
CID 55224386
1-[5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115984032
2-chloro-1-[[3-(chloromethyl)phenoxy]methyl]-3-fluorobenzene
CID 112652526

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene (CID 107698873) is 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene is Fc1ccc(OCc2cccc(F)c2Cl)c(CCl)c1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene?
The InChIKey is ARUGVFDOUWBCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c15-7-10-6-11(17)4-5-13(10)19-8-9-2-1-3-12(18)14(9)16/h1-6H,7-8H2.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene?
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene has a molecular weight of 303.14 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene is sourced from PubChem (CID 107698873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).