2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene

C18H20F2 — CID 19107895

IUPAC2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(CCC)c(F)c2F)cc1
InChIInChI=1S/C18H20F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h7-12H,3-6H2,1-2H3
InChIKeyWMBHJTCSUXCZCX-UHFFFAOYSA-N
MW274.35 g/mol
LogP5.54
Rot. Bonds5

About 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene

2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene (PubChem CID 19107895) has the molecular formula C18H20F2 and a molecular weight of 274.35 g/mol. Its IUPAC name is 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene
PubChem CID19107895
Molecular FormulaC18H20F2
Molecular Weight274.35 g/mol
Exact Mass274.15
IUPAC Name2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(CCC)c(F)c2F)cc1
InChIInChI=1S/C18H20F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h7-12H,3-6H2,1-2H3
InChIKeyWMBHJTCSUXCZCX-UHFFFAOYSA-N
XLogP5.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.35
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene?
The IUPAC name of 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene (CID 19107895) is 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene.
What is the SMILES notation for 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene?
The canonical SMILES for 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(CCC)c(F)c2F)cc1.
What is the InChIKey of 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene?
The InChIKey is WMBHJTCSUXCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2/c1-3-5-13-7-9-14(10-8-13)16-12-11-15(6-4-2)17(19)18(16)20/h7-12H,3-6H2,1-2H3.
What are the key properties of 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene?
2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene has a molecular weight of 274.35 g/mol, XLogP of 5.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-propyl-4-(4-propylphenyl)benzene is sourced from PubChem (CID 19107895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).