1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene

C14H10ClF3O — CID 107698765

IUPAC1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(COc2ccc(F)cc2CCl)c1
InChIInChI=1S/C14H10ClF3O/c15-7-10-5-11(16)1-2-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2
InChIKeyBLMQXEVYHOLNJK-UHFFFAOYSA-N
MW286.68 g/mol
LogP4.42
Rot. Bonds4

About 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene

1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene (PubChem CID 107698765) has the molecular formula C14H10ClF3O and a molecular weight of 286.68 g/mol. Its IUPAC name is 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene.

Molecular Properties

Compound Name1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
PubChem CID107698765
Molecular FormulaC14H10ClF3O
Molecular Weight286.68 g/mol
Exact Mass286.04
IUPAC Name1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene
SMILESFc1cc(F)cc(COc2ccc(F)cc2CCl)c1
InChIInChI=1S/C14H10ClF3O/c15-7-10-5-11(16)1-2-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2
InChIKeyBLMQXEVYHOLNJK-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

1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-3,5-difluorobenzene
CID 105404283
2-(chloromethyl)-1-[(2,5-dimethylphenyl)methoxy]-4-fluorobenzene
CID 107698706
1-[(2-chloro-3-fluorophenyl)methoxy]-2-(chloromethyl)-4-fluorobenzene
CID 107698873
2-(bromomethyl)-4-fluoro-1-[(4-fluorophenyl)methoxy]benzene
CID 89437019
1-chloro-2-[[2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 102616567
2-(chloromethyl)-3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine
CID 105404335
(1R)-1-[2-[(3,5-difluorophenyl)methoxy]-5-fluorophenyl]ethanamine
CID 105402653
3-[(2-chloro-4-fluorophenoxy)methyl]-5-fluoroaniline
CID 112646523
2-bromo-1-[[4-bromo-2-(chloromethyl)phenoxy]methyl]-4-fluorobenzene
CID 28981493
2-chloro-3-[(3,5-difluorophenyl)methoxy]pyridine
CID 105403621
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
3-[(2,4-difluorophenoxy)methyl]-5-fluoroaniline
CID 112646416

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene?
The IUPAC name of 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene (CID 107698765) is 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene.
What is the SMILES notation for 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene?
The canonical SMILES for 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene is Fc1cc(F)cc(COc2ccc(F)cc2CCl)c1.
What is the InChIKey of 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene?
The InChIKey is BLMQXEVYHOLNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O/c15-7-10-5-11(16)1-2-14(10)19-8-9-3-12(17)6-13(18)4-9/h1-6H,7-8H2.
What are the key properties of 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene?
1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene 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 1-[[2-(chloromethyl)-4-fluorophenoxy]methyl]-3,5-difluorobenzene is sourced from PubChem (CID 107698765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).