2,4-difluoro-1-pentylbenzene

C11H14F2 — CID 20770613

IUPAC2,4-difluoro-1-pentylbenzene
SMILESCCCCCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h6-8H,2-5H2,1H3
InChIKeyLWNQTRAECPFBAF-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.70
Rot. Bonds4

About 2,4-difluoro-1-pentylbenzene

2,4-difluoro-1-pentylbenzene (PubChem CID 20770613) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 2,4-difluoro-1-pentylbenzene.

Molecular Properties

Compound Name2,4-difluoro-1-pentylbenzene
PubChem CID20770613
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name2,4-difluoro-1-pentylbenzene
SMILESCCCCCc1ccc(F)cc1F
InChIInChI=1S/C11H14F2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h6-8H,2-5H2,1H3
InChIKeyLWNQTRAECPFBAF-UHFFFAOYSA-N
XLogP3.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-pentylbenzene?
The IUPAC name of 2,4-difluoro-1-pentylbenzene (CID 20770613) is 2,4-difluoro-1-pentylbenzene.
What is the SMILES notation for 2,4-difluoro-1-pentylbenzene?
The canonical SMILES for 2,4-difluoro-1-pentylbenzene is CCCCCc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-pentylbenzene?
The InChIKey is LWNQTRAECPFBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-2-3-4-5-9-6-7-10(12)8-11(9)13/h6-8H,2-5H2,1H3.
What are the key properties of 2,4-difluoro-1-pentylbenzene?
2,4-difluoro-1-pentylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-pentylbenzene is sourced from PubChem (CID 20770613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).