2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol

C18H19F3O — CID 69428161

IUPAC2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
SMILESCCCc1cc(F)c(O)c(-c2ccc(CCC)c(F)c2F)c1
InChIInChI=1S/C18H19F3O/c1-3-5-11-9-14(18(22)15(19)10-11)13-8-7-12(6-4-2)16(20)17(13)21/h7-10,22H,3-6H2,1-2H3
InChIKeyBCERDLCEFJQXPH-UHFFFAOYSA-N
MW308.34 g/mol
LogP5.38
Rot. Bonds5

About 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol

2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol (PubChem CID 69428161) has the molecular formula C18H19F3O and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol.

Molecular Properties

Compound Name2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
PubChem CID69428161
Molecular FormulaC18H19F3O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol
SMILESCCCc1cc(F)c(O)c(-c2ccc(CCC)c(F)c2F)c1
InChIInChI=1S/C18H19F3O/c1-3-5-11-9-14(18(22)15(19)10-11)13-8-7-12(6-4-2)16(20)17(13)21/h7-10,22H,3-6H2,1-2H3
InChIKeyBCERDLCEFJQXPH-UHFFFAOYSA-N
XLogP5.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
2-[2,3-difluoro-4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]-5-propylpyrimidine
CID 118858566
2,3-difluoro-4-propylphenol
CID 14495704
2-bromo-6-fluoro-4-propylphenol
CID 69428563
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-methylbenzene
CID 141308047
2,3-difluoro-5-propylphenol;ethane
CID 143889142
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
2,3-difluoro-1-[4-(3-fluoro-4-iodophenyl)phenyl]-4-propylbenzene
CID 10961394
1-[4-[2-(2,3-difluoro-4-propylphenyl)ethyl]phenyl]-4-ethyl-2,3-difluorobenzene
CID 58140627
6-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethyl]-1,2,3-trifluoronaphthalene
CID 118858657
1-[4-(2,3-difluoro-4-propylphenyl)phenyl]ethanone
CID 142331657
4-(2-fluoro-4-propylphenyl)phenol
CID 139457311

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol?
The IUPAC name of 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol (CID 69428161) is 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol.
What is the SMILES notation for 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol?
The canonical SMILES for 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol is CCCc1cc(F)c(O)c(-c2ccc(CCC)c(F)c2F)c1.
What is the InChIKey of 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol?
The InChIKey is BCERDLCEFJQXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O/c1-3-5-11-9-14(18(22)15(19)10-11)13-8-7-12(6-4-2)16(20)17(13)21/h7-10,22H,3-6H2,1-2H3.
What are the key properties of 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol?
2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol has a molecular weight of 308.34 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-4-propylphenyl)-6-fluoro-4-propylphenol is sourced from PubChem (CID 69428161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).