1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene

C14H10Cl3FO — CID 107691124

IUPAC1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
SMILESFc1cc(CCl)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-7-9-1-4-14(13(18)5-9)19-8-10-6-11(16)2-3-12(10)17/h1-6H,7-8H2
InChIKeyLOOFBTQOOQNEIE-UHFFFAOYSA-N
MW319.59 g/mol
LogP5.45
Rot. Bonds4

About 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene

1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene (PubChem CID 107691124) has the molecular formula C14H10Cl3FO and a molecular weight of 319.59 g/mol. Its IUPAC name is 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
PubChem CID107691124
Molecular FormulaC14H10Cl3FO
Molecular Weight319.59 g/mol
Exact Mass317.98
IUPAC Name1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
SMILESFc1cc(CCl)ccc1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10Cl3FO/c15-7-9-1-4-14(13(18)5-9)19-8-10-6-11(16)2-3-12(10)17/h1-6H,7-8H2
InChIKeyLOOFBTQOOQNEIE-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.59
LogP ≤ 55.45
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

4-(chloromethyl)-1-[(2,5-dichlorophenyl)methoxy]-2-nitrobenzene
CID 65316735
2-[4-[(5-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]ethanamine
CID 107692530
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
4-(chloromethyl)-1-[(2-chloro-4-nitrophenyl)methoxy]-2-fluorobenzene
CID 107691373
2-[[4-(bromomethyl)-2-fluorophenoxy]methyl]-4-chloro-1-methoxybenzene
CID 107691893
2-(bromomethyl)-4-chloro-1-[(2,5-dichlorophenyl)methoxy]benzene
CID 65316926
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
1-[4-[(4-chloro-2-fluorophenyl)methoxy]-3-fluorophenyl]-N-methylmethanamine
CID 107686772
N-[4-[(2,5-dichlorophenyl)methoxy]-3-fluorophenyl]prop-2-enamide
CID 167449588
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene (CID 107691124) is 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene is Fc1cc(CCl)ccc1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene?
The InChIKey is LOOFBTQOOQNEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl3FO/c15-7-9-1-4-14(13(18)5-9)19-8-10-6-11(16)2-3-12(10)17/h1-6H,7-8H2.
What are the key properties of 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene?
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene has a molecular weight of 319.59 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene is sourced from PubChem (CID 107691124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).