2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene

C15H13F3O — CID 163577321

IUPAC2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(C)c(F)c2F)cc1F
InChIInChI=1S/C15H13F3O/c1-9-4-6-12(7-13(9)16)19-8-11-5-3-10(2)14(17)15(11)18/h3-7H,8H2,1-2H3
InChIKeyGEPRGSJSBFBRRA-UHFFFAOYSA-N
MW266.26 g/mol
LogP4.30
Rot. Bonds3

About 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene

2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene (PubChem CID 163577321) has the molecular formula C15H13F3O and a molecular weight of 266.26 g/mol. Its IUPAC name is 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
PubChem CID163577321
Molecular FormulaC15H13F3O
Molecular Weight266.26 g/mol
Exact Mass266.09
IUPAC Name2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene
SMILESCc1ccc(OCc2ccc(C)c(F)c2F)cc1F
InChIInChI=1S/C15H13F3O/c1-9-4-6-12(7-13(9)16)19-8-11-5-3-10(2)14(17)15(11)18/h3-7H,8H2,1-2H3
InChIKeyGEPRGSJSBFBRRA-UHFFFAOYSA-N
XLogP4.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-bromo-2-fluoro-1-[(3-fluoro-4-methylphenoxy)methyl]benzene
CID 107170184
2-fluoro-4-(methoxymethoxy)-1-methylbenzene
CID 54289403
2-[2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]ethanamine
CID 107170915
4-chloro-2-[(3-fluoro-4-methylphenoxy)methyl]aniline
CID 107168669
2-chloro-3-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 107169110
2-fluoro-4-(fluoromethoxy)-1-methylbenzene;fluoromethane
CID 91055854
4-[(4-chloro-2-nitrophenyl)methoxy]-2-fluoro-1-methylbenzene
CID 107171523
4-[(3-fluoro-4-methylphenoxy)methyl]pyridine
CID 23377294
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
3-[5-fluoro-2-[(3-fluoro-4-methylphenoxy)methyl]phenyl]prop-2-yn-1-amine
CID 107170200
3-chloro-4-[(3-fluoro-4-methylphenoxy)methyl]benzenecarbothioamide
CID 107169335
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene (CID 163577321) is 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene is Cc1ccc(OCc2ccc(C)c(F)c2F)cc1F.
What is the InChIKey of 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene?
The InChIKey is GEPRGSJSBFBRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O/c1-9-4-6-12(7-13(9)16)19-8-11-5-3-10(2)14(17)15(11)18/h3-7H,8H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene?
2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene has a molecular weight of 266.26 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[(3-fluoro-4-methylphenoxy)methyl]-4-methylbenzene is sourced from PubChem (CID 163577321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).