2-(4-fluorophenyl)-2-methyloctan-3-one

C15H21FO — CID 64759949

IUPAC2-(4-fluorophenyl)-2-methyloctan-3-one
SMILESCCCCCC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H21FO/c1-4-5-6-7-14(17)15(2,3)12-8-10-13(16)11-9-12/h8-11H,4-7H2,1-3H3
InChIKeyMEHQBWIZVHLTGC-UHFFFAOYSA-N
MW236.33 g/mol
LogP4.25
Rot. Bonds6

About 2-(4-fluorophenyl)-2-methyloctan-3-one

2-(4-fluorophenyl)-2-methyloctan-3-one (PubChem CID 64759949) has the molecular formula C15H21FO and a molecular weight of 236.33 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-methyloctan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-methyloctan-3-one
PubChem CID64759949
Molecular FormulaC15H21FO
Molecular Weight236.33 g/mol
Exact Mass236.16
IUPAC Name2-(4-fluorophenyl)-2-methyloctan-3-one
SMILESCCCCCC(=O)C(C)(C)c1ccc(F)cc1
InChIInChI=1S/C15H21FO/c1-4-5-6-7-14(17)15(2,3)12-8-10-13(16)11-9-12/h8-11H,4-7H2,1-3H3
InChIKeyMEHQBWIZVHLTGC-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-fluorophenyl)-4-methyl-1-thiophen-3-ylpentan-3-one
CID 64757946
1,2-bis(4-fluorophenyl)-2-methylpropan-1-one
CID 64757736
2-(aminomethyl)-2-(4-fluorophenyl)heptanoic acid
CID 106490980
2-fluoro-2-methyldecan-3-one
CID 14645302
2-(aminomethyl)-2-(4-fluorophenyl)nonanoic acid
CID 106490906
1-(4-ethylphenyl)-2-(4-fluorophenyl)-2-methylpropan-1-one
CID 64759583
N-ethyl-N-(4-fluorophenyl)hexanamide
CID 78806862
(2E)-2-[(4-fluorophenyl)methylidene]heptanal
CID 135262924
1-(4-tert-butylphenyl)dodecan-1-one
CID 146005513
4-methoxy-4-methyl-1-phenyldecane-3,5-dione
CID 86033268
3-[[2-(4-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 119177515
ethane;methanol;2-methyl-2-(4-methylphenyl)pentan-3-one
CID 143507442

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-2-methyloctan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-2-methyloctan-3-one (CID 64759949) is 2-(4-fluorophenyl)-2-methyloctan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-2-methyloctan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-2-methyloctan-3-one is CCCCCC(=O)C(C)(C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-2-methyloctan-3-one?
The InChIKey is MEHQBWIZVHLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FO/c1-4-5-6-7-14(17)15(2,3)12-8-10-13(16)11-9-12/h8-11H,4-7H2,1-3H3.
What are the key properties of 2-(4-fluorophenyl)-2-methyloctan-3-one?
2-(4-fluorophenyl)-2-methyloctan-3-one has a molecular weight of 236.33 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-methyloctan-3-one is sourced from PubChem (CID 64759949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).