(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene

C15H19F — CID 102169993

IUPAC(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene
SMILESCC(C)(CC=C=CCCF)c1ccccc1
InChIInChI=1S/C15H19F/c1-15(2,12-8-3-4-9-13-16)14-10-6-5-7-11-14/h4-8,10-11H,9,12-13H2,1-2H3
InChIKeySQCHQRSWNJVCNA-UHFFFAOYSA-N
MW218.31 g/mol
LogP4.43
Rot. Bonds5

About (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene

(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene (PubChem CID 102169993) has the molecular formula C15H19F and a molecular weight of 218.31 g/mol. Its IUPAC name is (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene.

Molecular Properties

Compound Name(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene
PubChem CID102169993
Molecular FormulaC15H19F
Molecular Weight218.31 g/mol
Exact Mass218.15
IUPAC Name(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene
SMILESCC(C)(CC=C=CCCF)c1ccccc1
InChIInChI=1S/C15H19F/c1-15(2,12-8-3-4-9-13-16)14-10-6-5-7-11-14/h4-8,10-11H,9,12-13H2,1-2H3
InChIKeySQCHQRSWNJVCNA-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene?
The IUPAC name of (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene (CID 102169993) is (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene.
What is the SMILES notation for (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene?
The canonical SMILES for (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene is CC(C)(CC=C=CCCF)c1ccccc1.
What is the InChIKey of (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene?
The InChIKey is SQCHQRSWNJVCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F/c1-15(2,12-8-3-4-9-13-16)14-10-6-5-7-11-14/h4-8,10-11H,9,12-13H2,1-2H3.
What are the key properties of (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene?
(8-fluoro-2-methylocta-4,5-dien-2-yl)benzene has a molecular weight of 218.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (8-fluoro-2-methylocta-4,5-dien-2-yl)benzene is sourced from PubChem (CID 102169993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).