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

C13H9F3O — CID 64765828

IUPAC2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H9F3O/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-7H,8H2
InChIKeyCQIFWLPHEYKVOO-UHFFFAOYSA-N
MW238.21 g/mol
LogP3.68
Rot. Bonds3

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

2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene (PubChem CID 64765828) has the molecular formula C13H9F3O and a molecular weight of 238.21 g/mol. Its IUPAC name is 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene.

Molecular Properties

Compound Name2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
PubChem CID64765828
Molecular FormulaC13H9F3O
Molecular Weight238.21 g/mol
Exact Mass238.06
IUPAC Name2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene
SMILESFc1ccc(OCc2ccc(F)cc2F)cc1
InChIInChI=1S/C13H9F3O/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-7H,8H2
InChIKeyCQIFWLPHEYKVOO-UHFFFAOYSA-N
XLogP3.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(4-bromophenoxy)methyl]-2,4-difluorobenzene
CID 63531797
4-bromo-2-fluoro-1-[(4-fluorophenoxy)methyl]benzene
CID 55027056
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethanol
CID 62196202
1-[4-[(2,4-difluorophenyl)methoxy]phenyl]ethylidenehydrazine
CID 130338430
4-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 55045519
(1S)-1-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]ethanamine
CID 107719182
2-fluoro-6-[(2-fluoro-4-methoxyphenyl)methoxy]naphthalene
CID 139853874
2-chloro-5-[(2,4-difluorophenyl)methoxy]benzoic acid
CID 90329310
2-bromo-1-[(4-chlorophenoxy)methyl]-4-fluorobenzene
CID 63457531
4-[4-[(2,4-difluorophenyl)methoxy]phenyl]-N,N-dimethylbutan-2-amine;hydrochloride
CID 19885149
3-[4-[(2,4-difluorophenyl)methoxy]-2-fluorophenyl]prop-2-yn-1-amine
CID 65201874
4-[(2,4-difluorophenyl)methoxy]-1-methylpyrazole
CID 116794247

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene?
The IUPAC name of 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene (CID 64765828) is 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene.
What is the SMILES notation for 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene?
The canonical SMILES for 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene is Fc1ccc(OCc2ccc(F)cc2F)cc1.
What is the InChIKey of 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene?
The InChIKey is CQIFWLPHEYKVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3O/c14-10-3-5-12(6-4-10)17-8-9-1-2-11(15)7-13(9)16/h1-7H,8H2.
What are the key properties of 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene?
2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene has a molecular weight of 238.21 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-[(4-fluorophenoxy)methyl]benzene is sourced from PubChem (CID 64765828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).