1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene

C19H28F2 — CID 167246289

IUPAC1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene
SMILESC=C(C)CC(C)CCCCCCc1ccc(F)c(C)c1F
InChIInChI=1S/C19H28F2/c1-14(2)13-15(3)9-7-5-6-8-10-17-11-12-18(20)16(4)19(17)21/h11-12,15H,1,5-10,13H2,2-4H3
InChIKeyMGIZNHQSRWRQJS-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.37
Rot. Bonds9

About 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene

1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene (PubChem CID 167246289) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene.

Molecular Properties

Compound Name1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene
PubChem CID167246289
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene
SMILESC=C(C)CC(C)CCCCCCc1ccc(F)c(C)c1F
InChIInChI=1S/C19H28F2/c1-14(2)13-15(3)9-7-5-6-8-10-17-11-12-18(20)16(4)19(17)21/h11-12,15H,1,5-10,13H2,2-4H3
InChIKeyMGIZNHQSRWRQJS-UHFFFAOYSA-N
XLogP6.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene?
The IUPAC name of 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene (CID 167246289) is 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene.
What is the SMILES notation for 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene?
The canonical SMILES for 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene is C=C(C)CC(C)CCCCCCc1ccc(F)c(C)c1F.
What is the InChIKey of 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene?
The InChIKey is MGIZNHQSRWRQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2/c1-14(2)13-15(3)9-7-5-6-8-10-17-11-12-18(20)16(4)19(17)21/h11-12,15H,1,5-10,13H2,2-4H3.
What are the key properties of 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene?
1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene has a molecular weight of 294.43 g/mol, XLogP of 6.37, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,9-dimethyldec-9-enyl)-2,4-difluoro-3-methylbenzene is sourced from PubChem (CID 167246289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).