1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene

C14H10Cl2F2O — CID 107882644

IUPAC1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
SMILESFc1cc(COc2c(F)cccc2CCl)ccc1Cl
InChIInChI=1S/C14H10Cl2F2O/c15-7-10-2-1-3-12(17)14(10)19-8-9-4-5-11(16)13(18)6-9/h1-6H,7-8H2
InChIKeyGMRAJDKEFIGTBT-UHFFFAOYSA-N
MW303.14 g/mol
LogP4.94
Rot. Bonds4

About 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene

1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene (PubChem CID 107882644) has the molecular formula C14H10Cl2F2O and a molecular weight of 303.14 g/mol. Its IUPAC name is 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
PubChem CID107882644
Molecular FormulaC14H10Cl2F2O
Molecular Weight303.14 g/mol
Exact Mass302.01
IUPAC Name1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
SMILESFc1cc(COc2c(F)cccc2CCl)ccc1Cl
InChIInChI=1S/C14H10Cl2F2O/c15-7-10-2-1-3-12(17)14(10)19-8-9-4-5-11(16)13(18)6-9/h1-6H,7-8H2
InChIKeyGMRAJDKEFIGTBT-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-bromo-3-(bromomethyl)-2-[(4-chloro-3-fluorophenyl)methoxy]benzene
CID 107882612
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
CID 112613649
3-chloro-2-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878154
2-chloro-5-[(2,6-difluorophenoxy)methyl]aniline
CID 81267909
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
1-chloro-2-[(5-chloro-2-fluorophenyl)methoxy]-3-(chloromethyl)benzene
CID 103047074
2-bromo-5-[(2-chloro-6-fluorophenoxy)methyl]aniline
CID 83051603
[3-chloro-2-[(3,4-difluorophenyl)methoxy]phenyl]methanol
CID 112612722
1-chloro-3-fluoro-2-[(3-fluoro-4-nitrophenyl)methoxy]benzene
CID 83051816
3-bromo-2-[(4-chloro-3-fluorophenyl)methoxy]-5-fluoroaniline
CID 107877984
3,5-dibromo-4-[(4-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 107881642
2-[2-[(3-bromo-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 115957934

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene?
The IUPAC name of 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene (CID 107882644) is 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene is Fc1cc(COc2c(F)cccc2CCl)ccc1Cl.
What is the InChIKey of 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene?
The InChIKey is GMRAJDKEFIGTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O/c15-7-10-2-1-3-12(17)14(10)19-8-9-4-5-11(16)13(18)6-9/h1-6H,7-8H2.
What are the key properties of 1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene?
1-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-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-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene is sourced from PubChem (CID 107882644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).