1-(2-fluorophenyl)-2-propan-2-yloxyethanone

C11H13FO2 — CID 43798811

IUPAC1-(2-fluorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyLEFCTWSEJKCRMR-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.43
Rot. Bonds4

About 1-(2-fluorophenyl)-2-propan-2-yloxyethanone

1-(2-fluorophenyl)-2-propan-2-yloxyethanone (PubChem CID 43798811) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-propan-2-yloxyethanone
PubChem CID43798811
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(2-fluorophenyl)-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C11H13FO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChIKeyLEFCTWSEJKCRMR-UHFFFAOYSA-N
XLogP2.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-propan-2-yloxyethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-propan-2-yloxyethanone (CID 43798811) is 1-(2-fluorophenyl)-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-propan-2-yloxyethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-propan-2-yloxyethanone is CC(C)OCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-propan-2-yloxyethanone?
The InChIKey is LEFCTWSEJKCRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(2)14-7-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-propan-2-yloxyethanone?
1-(2-fluorophenyl)-2-propan-2-yloxyethanone has a molecular weight of 196.22 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-propan-2-yloxyethanone is sourced from PubChem (CID 43798811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).