1-(5-ethyl-2-fluorophenyl)propan-2-one

C11H13FO — CID 117278354

IUPAC1-(5-ethyl-2-fluorophenyl)propan-2-one
SMILESCCc1ccc(F)c(CC(C)=O)c1
InChIInChI=1S/C11H13FO/c1-3-9-4-5-11(12)10(7-9)6-8(2)13/h4-5,7H,3,6H2,1-2H3
InChIKeyDACHBQSICXDBHG-UHFFFAOYSA-N
MW180.22 g/mol
LogP2.52
Rot. Bonds3

About 1-(5-ethyl-2-fluorophenyl)propan-2-one

1-(5-ethyl-2-fluorophenyl)propan-2-one (PubChem CID 117278354) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is 1-(5-ethyl-2-fluorophenyl)propan-2-one.

Molecular Properties

Compound Name1-(5-ethyl-2-fluorophenyl)propan-2-one
PubChem CID117278354
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name1-(5-ethyl-2-fluorophenyl)propan-2-one
SMILESCCc1ccc(F)c(CC(C)=O)c1
InChIInChI=1S/C11H13FO/c1-3-9-4-5-11(12)10(7-9)6-8(2)13/h4-5,7H,3,6H2,1-2H3
InChIKeyDACHBQSICXDBHG-UHFFFAOYSA-N
XLogP2.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
1-bromo-3-(5-ethyl-2-fluorophenyl)propan-2-one
CID 134616896
1-(4-ethyl-3-fluorophenyl)propan-2-one
CID 118824683
5-(5-ethyl-2-fluorophenyl)pentanoic acid
CID 143472100
2-[2-fluoro-5-(2-oxopropyl)phenyl]acetonitrile
CID 130870436
N-(5-ethyl-2-fluorophenyl)-N-methylacetamide
CID 150244406
(5-ethyl-2-fluorophenyl)methyl methanesulfonate
CID 130132959
1-[4-(2,3,4-trifluorophenyl)phenyl]propan-2-one
CID 82540903
1-(4-ethoxy-3-fluorophenyl)propan-2-one
CID 82491351
2-(5-ethyl-2-fluorophenoxy)acetic acid
CID 89304520
5-(2,5-diethylphenyl)-4-methylpentan-2-one
CID 83920938
5-ethyl-2-fluoroaniline
CID 10630567

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-fluorophenyl)propan-2-one?
The IUPAC name of 1-(5-ethyl-2-fluorophenyl)propan-2-one (CID 117278354) is 1-(5-ethyl-2-fluorophenyl)propan-2-one.
What is the SMILES notation for 1-(5-ethyl-2-fluorophenyl)propan-2-one?
The canonical SMILES for 1-(5-ethyl-2-fluorophenyl)propan-2-one is CCc1ccc(F)c(CC(C)=O)c1.
What is the InChIKey of 1-(5-ethyl-2-fluorophenyl)propan-2-one?
The InChIKey is DACHBQSICXDBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-9-4-5-11(12)10(7-9)6-8(2)13/h4-5,7H,3,6H2,1-2H3.
What are the key properties of 1-(5-ethyl-2-fluorophenyl)propan-2-one?
1-(5-ethyl-2-fluorophenyl)propan-2-one has a molecular weight of 180.22 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-fluorophenyl)propan-2-one is sourced from PubChem (CID 117278354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).