1-ethynyl-4-(1-fluoroethyl)benzene

C10H9F — CID 178189900

IUPAC1-ethynyl-4-(1-fluoroethyl)benzene
SMILESC#Cc1ccc(C(C)F)cc1
InChIInChI=1S/C10H9F/c1-3-9-4-6-10(7-5-9)8(2)11/h1,4-8H,2H3
InChIKeyRQHOBVJXCHHRAH-UHFFFAOYSA-N
MW148.18 g/mol
LogP2.70
Rot. Bonds1

About 1-ethynyl-4-(1-fluoroethyl)benzene

1-ethynyl-4-(1-fluoroethyl)benzene (PubChem CID 178189900) has the molecular formula C10H9F and a molecular weight of 148.18 g/mol. Its IUPAC name is 1-ethynyl-4-(1-fluoroethyl)benzene.

Molecular Properties

Compound Name1-ethynyl-4-(1-fluoroethyl)benzene
PubChem CID178189900
Molecular FormulaC10H9F
Molecular Weight148.18 g/mol
Exact Mass148.07
IUPAC Name1-ethynyl-4-(1-fluoroethyl)benzene
SMILESC#Cc1ccc(C(C)F)cc1
InChIInChI=1S/C10H9F/c1-3-9-4-6-10(7-5-9)8(2)11/h1,4-8H,2H3
InChIKeyRQHOBVJXCHHRAH-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 52.70
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-ethynyl-4-(1-fluoroethyl)benzene?
The IUPAC name of 1-ethynyl-4-(1-fluoroethyl)benzene (CID 178189900) is 1-ethynyl-4-(1-fluoroethyl)benzene.
What is the SMILES notation for 1-ethynyl-4-(1-fluoroethyl)benzene?
The canonical SMILES for 1-ethynyl-4-(1-fluoroethyl)benzene is C#Cc1ccc(C(C)F)cc1.
What is the InChIKey of 1-ethynyl-4-(1-fluoroethyl)benzene?
The InChIKey is RQHOBVJXCHHRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F/c1-3-9-4-6-10(7-5-9)8(2)11/h1,4-8H,2H3.
What are the key properties of 1-ethynyl-4-(1-fluoroethyl)benzene?
1-ethynyl-4-(1-fluoroethyl)benzene has a molecular weight of 148.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-(1-fluoroethyl)benzene is sourced from PubChem (CID 178189900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).