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

C23H21F3O — CID 58140637

IUPAC2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
SMILESCCCc1ccc(OCc2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C23H21F3O/c1-3-4-16-8-12-21(20(24)13-16)27-14-17-6-9-18(10-7-17)19-11-5-15(2)22(25)23(19)26/h5-13H,3-4,14H2,1-2H3
InChIKeyXFMDSZCVOLOXCP-UHFFFAOYSA-N
MW370.41 g/mol
LogP6.61
Rot. Bonds6

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

2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene (PubChem CID 58140637) has the molecular formula C23H21F3O and a molecular weight of 370.41 g/mol. Its IUPAC name is 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
PubChem CID58140637
Molecular FormulaC23H21F3O
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene
SMILESCCCc1ccc(OCc2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1
InChIInChI=1S/C23H21F3O/c1-3-4-16-8-12-21(20(24)13-16)27-14-17-6-9-18(10-7-17)19-11-5-15(2)22(25)23(19)26/h5-13H,3-4,14H2,1-2H3
InChIKeyXFMDSZCVOLOXCP-UHFFFAOYSA-N
XLogP6.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.41
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047
2,3-difluoro-1-[4-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-4-octoxybenzene
CID 58140915
1-[4-[(4-ethoxy-3-fluorophenyl)methoxy]phenyl]-2,3-difluoro-4-phenylbenzene
CID 153125542
2,3-difluoro-1-[4-(2-fluoro-4-propylphenyl)phenyl]-4-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 118858770
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
2,3-difluoro-1-[3-fluoro-4-(4-propylphenyl)phenyl]-4-methoxybenzene
CID 121369846
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311
1-[[4-(4-butoxy-2-fluorophenyl)phenyl]methoxy]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 89429715
2,3-difluoro-1-[[4-(3-fluoro-4-pent-4-enoxyphenyl)phenyl]methoxy]-4-methylbenzene
CID 58140653
1-[4-(4-ethylphenyl)phenyl]-2,3-difluoro-4-methylbenzene
CID 147217763
1-[4-[(4-but-3-enoxy-3-fluorophenoxy)methyl]phenyl]-4-(4-butoxyphenyl)-2,3-difluorobenzene
CID 89430722
2,3-difluoro-1-[3-fluoro-4-(4-hexylphenyl)phenyl]-4-methylbenzene
CID 121369897

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene?
The IUPAC name of 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene (CID 58140637) is 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene.
What is the SMILES notation for 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene?
The canonical SMILES for 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene is CCCc1ccc(OCc2ccc(-c3ccc(C)c(F)c3F)cc2)c(F)c1.
What is the InChIKey of 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene?
The InChIKey is XFMDSZCVOLOXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3O/c1-3-4-16-8-12-21(20(24)13-16)27-14-17-6-9-18(10-7-17)19-11-5-15(2)22(25)23(19)26/h5-13H,3-4,14H2,1-2H3.
What are the key properties of 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene?
2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene has a molecular weight of 370.41 g/mol, XLogP of 6.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-[4-[(2-fluoro-4-propylphenoxy)methyl]phenyl]-4-methylbenzene is sourced from PubChem (CID 58140637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).