4-(3-fluorophenyl)butanoyloxidanium

C10H12FO2+ — CID 160822973

IUPAC4-(3-fluorophenyl)butanoyloxidanium
SMILESO=C([OH2+])CCCc1cccc(F)c1
InChIInChI=1S/C10H11FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13)/p+1
InChIKeySFUDEIQDDYJRKV-UHFFFAOYSA-O
MW183.20 g/mol
LogP1.40
Rot. Bonds4

About 4-(3-fluorophenyl)butanoyloxidanium

4-(3-fluorophenyl)butanoyloxidanium (PubChem CID 160822973) has the molecular formula C10H12FO2+ and a molecular weight of 183.20 g/mol. Its IUPAC name is 4-(3-fluorophenyl)butanoyloxidanium.

Molecular Properties

Compound Name4-(3-fluorophenyl)butanoyloxidanium
PubChem CID160822973
Molecular FormulaC10H12FO2+
Molecular Weight183.20 g/mol
Exact Mass183.08
IUPAC Name4-(3-fluorophenyl)butanoyloxidanium
SMILESO=C([OH2+])CCCc1cccc(F)c1
InChIInChI=1S/C10H11FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13)/p+1
InChIKeySFUDEIQDDYJRKV-UHFFFAOYSA-O
XLogP1.40
TPSA39.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-(3-fluorophenyl)hexan-3-one
CID 64521140
5-(3-fluorophenyl)pentan-2-imine
CID 157154462
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
acetylene;1-butyl-3-fluorobenzene
CID 142913636
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
3-(3-fluorophenyl)-N,N-bis(prop-2-enyl)propanamide
CID 78829539
N-[3-(3-fluorophenyl)propyl]aniline
CID 90949937
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
4-[3-(3-fluorophenyl)propanoyl]benzoic acid
CID 82123939
2-fluoro-4-(3-fluorophenyl)-2-methylbutanoic acid
CID 83855515
N-(5-bromo-2-pyridinyl)-4-(3-fluorophenyl)butanamide
CID 115274084

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)butanoyloxidanium?
The IUPAC name of 4-(3-fluorophenyl)butanoyloxidanium (CID 160822973) is 4-(3-fluorophenyl)butanoyloxidanium.
What is the SMILES notation for 4-(3-fluorophenyl)butanoyloxidanium?
The canonical SMILES for 4-(3-fluorophenyl)butanoyloxidanium is O=C([OH2+])CCCc1cccc(F)c1.
What is the InChIKey of 4-(3-fluorophenyl)butanoyloxidanium?
The InChIKey is SFUDEIQDDYJRKV-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11FO2/c11-9-5-1-3-8(7-9)4-2-6-10(12)13/h1,3,5,7H,2,4,6H2,(H,12,13)/p+1.
What are the key properties of 4-(3-fluorophenyl)butanoyloxidanium?
4-(3-fluorophenyl)butanoyloxidanium has a molecular weight of 183.20 g/mol, XLogP of 1.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)butanoyloxidanium is sourced from PubChem (CID 160822973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).