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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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).