5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene

C14H10ClF3O — CID 79888109

IUPAC5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2c(F)cc(CCl)cc2F)cc1
InChIInChI=1S/C14H10ClF3O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2
InChIKeyZJERGPBOBOGQJF-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.42
Rot. Bonds4

About 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene

5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene (PubChem CID 79888109) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene.

Molecular Properties

Compound Name5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
PubChem CID79888109
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
SMILESFc1ccc(COc2c(F)cc(CCl)cc2F)cc1
InChIInChI=1S/C14H10ClF3O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2
InChIKeyZJERGPBOBOGQJF-UHFFFAOYSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 54.42
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

5-(chloromethyl)-1,3-difluoro-2-phenylmethoxybenzene
CID 79887883
1,3-dibromo-5-(chloromethyl)-2-[(4-fluorophenyl)methoxy]benzene
CID 107745218
[3,5-difluoro-4-[(4-fluorophenyl)methoxy]phenyl]methanamine
CID 79886217
1,2,4,5-tetrafluoro-3-[(4-fluorophenyl)methoxy]benzene
CID 112769771
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
CID 114930615
1-(chloromethyl)-4-[(4-fluorophenyl)methoxy]benzene
CID 22280023
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
3,5-difluoro-4-[(4-fluorophenyl)methoxy]benzoic acid
CID 79887700
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259
[3,5-difluoro-4-[(4-iodophenyl)methoxy]phenyl]methanol
CID 79888019
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene?
The IUPAC name of 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene (CID 79888109) is 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene.
What is the SMILES notation for 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene?
The canonical SMILES for 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene is Fc1ccc(COc2c(F)cc(CCl)cc2F)cc1.
What is the InChIKey of 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene?
The InChIKey is ZJERGPBOBOGQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-7-10-5-12(17)14(13(18)6-10)19-8-9-1-3-11(16)4-2-9/h1-6H,7-8H2.
What are the key properties of 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene?
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene has a molecular weight of 286.68 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene is sourced from PubChem (CID 79888109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).