4-(2-fluorophenoxy)butan-2-one

C10H11FO2 — CID 28948853

IUPAC4-(2-fluorophenoxy)butan-2-one
SMILESCC(=O)CCOc1ccccc1F
InChIInChI=1S/C10H11FO2/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyLKDFAOWCQUOXHW-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.18
Rot. Bonds4

About 4-(2-fluorophenoxy)butan-2-one

4-(2-fluorophenoxy)butan-2-one (PubChem CID 28948853) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)butan-2-one.

Molecular Properties

Compound Name4-(2-fluorophenoxy)butan-2-one
PubChem CID28948853
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name4-(2-fluorophenoxy)butan-2-one
SMILESCC(=O)CCOc1ccccc1F
InChIInChI=1S/C10H11FO2/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3
InChIKeyLKDFAOWCQUOXHW-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenoxy)-N-methoxypropanamide
CID 60717911
3-(2-fluorophenoxy)-1-(4-fluorophenyl)propan-1-one
CID 43793598
ethyl 2-[ethyl-[3-(2-fluorophenoxy)propanoyl]amino]acetate
CID 61012668
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
4-(2-fluorophenoxy)-N,N-dimethylbutan-1-amine;oxalic acid
CID 2935506
(2R)-2-[3-(2-fluorophenoxy)propanoylamino]propanoic acid
CID 54990985
3-(2-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109845
3-(2-fluorophenoxy)-N-(4-fluorophenyl)propanamide
CID 47097682
2-(2-fluorophenoxy)ethyl 3-methylbut-2-enoate
CID 78760883
3-(2-fluorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 43388959
methyl 2-[3-(2-fluorophenoxy)propanoylamino]propanoate
CID 60638002
1-(3-amino-1,2,4-triazol-1-yl)-4-(2-fluorophenoxy)butan-1-one
CID 110486515

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)butan-2-one?
The IUPAC name of 4-(2-fluorophenoxy)butan-2-one (CID 28948853) is 4-(2-fluorophenoxy)butan-2-one.
What is the SMILES notation for 4-(2-fluorophenoxy)butan-2-one?
The canonical SMILES for 4-(2-fluorophenoxy)butan-2-one is CC(=O)CCOc1ccccc1F.
What is the InChIKey of 4-(2-fluorophenoxy)butan-2-one?
The InChIKey is LKDFAOWCQUOXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-8(12)6-7-13-10-5-3-2-4-9(10)11/h2-5H,6-7H2,1H3.
What are the key properties of 4-(2-fluorophenoxy)butan-2-one?
4-(2-fluorophenoxy)butan-2-one has a molecular weight of 182.19 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)butan-2-one is sourced from PubChem (CID 28948853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).