5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene

C14H9ClF4O — CID 114930615

IUPAC5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
SMILESFc1cccc(F)c1COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H9ClF4O/c15-6-8-4-12(18)14(13(19)5-8)20-7-9-10(16)2-1-3-11(9)17/h1-5H,6-7H2
InChIKeySQYMOWXTXKWPFE-UHFFFAOYSA-N
MW304.67 g/mol
LogP4.56
Rot. Bonds4

About 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene

5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene (PubChem CID 114930615) has the molecular formula C14H9ClF4O and a molecular weight of 304.67 g/mol. Its IUPAC name is 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene.

Molecular Properties

Compound Name5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
PubChem CID114930615
Molecular FormulaC14H9ClF4O
Molecular Weight304.67 g/mol
Exact Mass304.03
IUPAC Name5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene
SMILESFc1cccc(F)c1COc1c(F)cc(CCl)cc1F
InChIInChI=1S/C14H9ClF4O/c15-6-8-4-12(18)14(13(19)5-8)20-7-9-10(16)2-1-3-11(9)17/h1-5H,6-7H2
InChIKeySQYMOWXTXKWPFE-UHFFFAOYSA-N
XLogP4.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.67
LogP ≤ 54.56
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
5-(chloromethyl)-1,3-difluoro-2-[(4-fluorophenyl)methoxy]benzene
CID 79888109
2-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]thiophene
CID 79887498
3-[[4-(chloromethyl)-2,6-difluorophenoxy]methyl]benzonitrile
CID 79888660
2-[(4-chloro-2-fluorophenyl)methoxy]-5-(chloromethyl)-1,3-difluorobenzene
CID 114850377
5-(chloromethyl)-1,3-difluoro-2-[(3-nitrophenyl)methoxy]benzene
CID 79881044
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534231
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
1,3-dibromo-2-[(2-chloro-3-fluorophenyl)methoxy]-5-(chloromethyl)benzene
CID 107745489
1-[4-[(2,6-dichlorophenyl)methoxy]-3,5-difluorophenyl]-N-methylmethanamine
CID 79881837

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene?
The IUPAC name of 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene (CID 114930615) is 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene.
What is the SMILES notation for 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene?
The canonical SMILES for 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene is Fc1cccc(F)c1COc1c(F)cc(CCl)cc1F.
What is the InChIKey of 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene?
The InChIKey is SQYMOWXTXKWPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF4O/c15-6-8-4-12(18)14(13(19)5-8)20-7-9-10(16)2-1-3-11(9)17/h1-5H,6-7H2.
What are the key properties of 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene?
5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene has a molecular weight of 304.67 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-[(2,6-difluorophenyl)methoxy]-1,3-difluorobenzene is sourced from PubChem (CID 114930615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).