1-fluoro-4-pent-1-ynylbenzene

C11H11F — CID 10866650

IUPAC1-fluoro-4-pent-1-ynylbenzene
SMILESCCCC#Cc1ccc(F)cc1
InChIInChI=1S/C11H11F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-3H2,1H3
InChIKeyPMDSAWFBRSSBBR-UHFFFAOYSA-N
MW162.21 g/mol
LogP2.98
Rot. Bonds1

About 1-fluoro-4-pent-1-ynylbenzene

1-fluoro-4-pent-1-ynylbenzene (PubChem CID 10866650) has the molecular formula C11H11F and a molecular weight of 162.21 g/mol. Its IUPAC name is 1-fluoro-4-pent-1-ynylbenzene.

Molecular Properties

Compound Name1-fluoro-4-pent-1-ynylbenzene
PubChem CID10866650
Molecular FormulaC11H11F
Molecular Weight162.21 g/mol
Exact Mass162.08
IUPAC Name1-fluoro-4-pent-1-ynylbenzene
SMILESCCCC#Cc1ccc(F)cc1
InChIInChI=1S/C11H11F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-3H2,1H3
InChIKeyPMDSAWFBRSSBBR-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-pent-1-ynylbenzene?
The IUPAC name of 1-fluoro-4-pent-1-ynylbenzene (CID 10866650) is 1-fluoro-4-pent-1-ynylbenzene.
What is the SMILES notation for 1-fluoro-4-pent-1-ynylbenzene?
The canonical SMILES for 1-fluoro-4-pent-1-ynylbenzene is CCCC#Cc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-pent-1-ynylbenzene?
The InChIKey is PMDSAWFBRSSBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-3H2,1H3.
What are the key properties of 1-fluoro-4-pent-1-ynylbenzene?
1-fluoro-4-pent-1-ynylbenzene has a molecular weight of 162.21 g/mol, XLogP of 2.98, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-pent-1-ynylbenzene is sourced from PubChem (CID 10866650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).