but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone

C18H17FO — CID 157412429

IUPACbut-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
SMILESCC#CC.CC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO.C4H6/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-4-2/h2-9H,1H3;1-2H3
InChIKeyBOLDEUTWUSVMIU-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.72
Rot. Bonds2

About but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone

but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone (PubChem CID 157412429) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone.

Molecular Properties

Compound Namebut-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
PubChem CID157412429
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Namebut-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone
SMILESCC#CC.CC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C14H11FO.C4H6/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-4-2/h2-9H,1H3;1-2H3
InChIKeyBOLDEUTWUSVMIU-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)ethanone;methanol
CID 160697688
1-[4-(4-fluorophenyl)sulfanylphenyl]ethanone
CID 10634160
1-[4-[2-(4-fluorophenyl)-1H-imidazol-5-yl]phenyl]ethanone
CID 172808427
1-[4-chloro-3-(4-fluorophenyl)phenyl]ethanone
CID 82541260
1-[4-(4-sulfanylphenyl)phenyl]ethanone
CID 12851397
1-[4-(3,5-dimethylphenyl)phenyl]ethanone
CID 11148810
ethane;1-(4-phenylphenyl)ethanone
CID 123256888
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-[4-(difluoromethyl)phenyl]phenyl]ethanone
CID 22760371
1-N-(4-acetylphenyl)-4-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049917
1-[4-(6-fluoro-3-pyridinyl)phenyl]ethanone
CID 58362655
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809

Frequently Asked Questions

What is the IUPAC name of but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone?
The IUPAC name of but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone (CID 157412429) is but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone.
What is the SMILES notation for but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone?
The canonical SMILES for but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone is CC#CC.CC(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone?
The InChIKey is BOLDEUTWUSVMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO.C4H6/c1-10(16)11-2-4-12(5-3-11)13-6-8-14(15)9-7-13;1-3-4-2/h2-9H,1H3;1-2H3.
What are the key properties of but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone?
but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone has a molecular weight of 268.33 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-yne;1-[4-(4-fluorophenyl)phenyl]ethanone is sourced from PubChem (CID 157412429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).