1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene

C15H20F2O — CID 173195092

IUPAC1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene
SMILESCCCCC(C)OCC=Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2O/c1-3-4-6-12(2)18-8-5-7-13-9-14(16)11-15(17)10-13/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyTZTNDBMUXOQVJN-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.57
Rot. Bonds7

About 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene

1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene (PubChem CID 173195092) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene
PubChem CID173195092
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene
SMILESCCCCC(C)OCC=Cc1cc(F)cc(F)c1
InChIInChI=1S/C15H20F2O/c1-3-4-6-12(2)18-8-5-7-13-9-14(16)11-15(17)10-13/h5,7,9-12H,3-4,6,8H2,1-2H3
InChIKeyTZTNDBMUXOQVJN-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene?
The IUPAC name of 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene (CID 173195092) is 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene.
What is the SMILES notation for 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene?
The canonical SMILES for 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene is CCCCC(C)OCC=Cc1cc(F)cc(F)c1.
What is the InChIKey of 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene?
The InChIKey is TZTNDBMUXOQVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-3-4-6-12(2)18-8-5-7-13-9-14(16)11-15(17)10-13/h5,7,9-12H,3-4,6,8H2,1-2H3.
What are the key properties of 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene?
1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene has a molecular weight of 254.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-5-(3-hexan-2-yloxyprop-1-enyl)benzene is sourced from PubChem (CID 173195092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).