1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene

C16H24F2 — CID 70261877

IUPAC1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene
SMILESCCCCC(CCC)Cc1cc(C)c(F)c(F)c1
InChIInChI=1S/C16H24F2/c1-4-6-8-13(7-5-2)10-14-9-12(3)16(18)15(17)11-14/h9,11,13H,4-8,10H2,1-3H3
InChIKeyPZTNJGJCNSYRHF-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.42
Rot. Bonds7

About 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene

1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene (PubChem CID 70261877) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene.

Molecular Properties

Compound Name1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene
PubChem CID70261877
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene
SMILESCCCCC(CCC)Cc1cc(C)c(F)c(F)c1
InChIInChI=1S/C16H24F2/c1-4-6-8-13(7-5-2)10-14-9-12(3)16(18)15(17)11-14/h9,11,13H,4-8,10H2,1-3H3
InChIKeyPZTNJGJCNSYRHF-UHFFFAOYSA-N
XLogP5.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene?
The IUPAC name of 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene (CID 70261877) is 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene.
What is the SMILES notation for 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene?
The canonical SMILES for 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene is CCCCC(CCC)Cc1cc(C)c(F)c(F)c1.
What is the InChIKey of 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene?
The InChIKey is PZTNJGJCNSYRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2/c1-4-6-8-13(7-5-2)10-14-9-12(3)16(18)15(17)11-14/h9,11,13H,4-8,10H2,1-3H3.
What are the key properties of 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene?
1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene has a molecular weight of 254.36 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-methyl-5-(2-propylhexyl)benzene is sourced from PubChem (CID 70261877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).