4-decan-3-yl-1,2-difluorobenzene

C16H24F2 — CID 129157108

IUPAC4-decan-3-yl-1,2-difluorobenzene
SMILESCCCCCCCC(CC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15(17)16(18)12-14/h10-13H,3-9H2,1-2H3
InChIKeyCXKFNJXWEDUUAU-UHFFFAOYSA-N
MW254.36 g/mol
LogP5.82
Rot. Bonds8

About 4-decan-3-yl-1,2-difluorobenzene

4-decan-3-yl-1,2-difluorobenzene (PubChem CID 129157108) has the molecular formula C16H24F2 and a molecular weight of 254.36 g/mol. Its IUPAC name is 4-decan-3-yl-1,2-difluorobenzene.

Molecular Properties

Compound Name4-decan-3-yl-1,2-difluorobenzene
PubChem CID129157108
Molecular FormulaC16H24F2
Molecular Weight254.36 g/mol
Exact Mass254.18
IUPAC Name4-decan-3-yl-1,2-difluorobenzene
SMILESCCCCCCCC(CC)c1ccc(F)c(F)c1
InChIInChI=1S/C16H24F2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15(17)16(18)12-14/h10-13H,3-9H2,1-2H3
InChIKeyCXKFNJXWEDUUAU-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.36
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 83936173
1,3-dimethyl-5-octan-3-ylbenzene
CID 19963892
octan-3-ylbenzene
CID 519547
1,2,3-trifluoro-5-(10-methyldodecan-3-yl)benzene
CID 59882257
4-dodecan-3-ylbenzaldehyde
CID 57123935
ethane;2-ethoxy-1-fluoro-4-nonan-5-ylbenzene
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2-(difluoromethoxy)-1-fluoro-4-nonan-5-ylbenzene
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1-(3,4-difluorophenyl)-2-(heptan-2-ylamino)ethanol
CID 60980975

Frequently Asked Questions

What is the IUPAC name of 4-decan-3-yl-1,2-difluorobenzene?
The IUPAC name of 4-decan-3-yl-1,2-difluorobenzene (CID 129157108) is 4-decan-3-yl-1,2-difluorobenzene.
What is the SMILES notation for 4-decan-3-yl-1,2-difluorobenzene?
The canonical SMILES for 4-decan-3-yl-1,2-difluorobenzene is CCCCCCCC(CC)c1ccc(F)c(F)c1.
What is the InChIKey of 4-decan-3-yl-1,2-difluorobenzene?
The InChIKey is CXKFNJXWEDUUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2/c1-3-5-6-7-8-9-13(4-2)14-10-11-15(17)16(18)12-14/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-decan-3-yl-1,2-difluorobenzene?
4-decan-3-yl-1,2-difluorobenzene has a molecular weight of 254.36 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decan-3-yl-1,2-difluorobenzene is sourced from PubChem (CID 129157108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).