4-(3-chloro-2-fluorophenoxy)pentan-2-one

C11H12ClFO2 — CID 116689446

IUPAC4-(3-chloro-2-fluorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,8H,6H2,1-2H3
InChIKeyASQYMJZKVMLMJO-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.23
Rot. Bonds4

About 4-(3-chloro-2-fluorophenoxy)pentan-2-one

4-(3-chloro-2-fluorophenoxy)pentan-2-one (PubChem CID 116689446) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenoxy)pentan-2-one
PubChem CID116689446
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Name4-(3-chloro-2-fluorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1cccc(Cl)c1F
InChIInChI=1S/C11H12ClFO2/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,8H,6H2,1-2H3
InChIKeyASQYMJZKVMLMJO-UHFFFAOYSA-N
XLogP3.23
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-2-fluorophenoxy)-3-methylbutanoic acid
CID 116688461
(3R)-3-(2,3-difluorophenoxy)butanoic acid
CID 94985896
ethyl 2-(3-chloro-2-fluorophenoxy)-2-fluoroacetate
CID 116688472
4-(2-bromophenoxy)pentan-2-one
CID 64698957
4-(2-ethoxyphenoxy)pentan-2-one
CID 64698334
4-[2-(hydroxymethyl)phenoxy]pentan-2-one
CID 64697349
1-(2,6-dichlorophenyl)-2-methylpentane-1,4-dione
CID 64706690
4-(4-chlorophenoxy)pentan-2-one
CID 64698945
1-chloro-2-fluoro-3-methoxybenzene;methane
CID 142301090
N-[2-(4-oxopentan-2-yloxy)phenyl]acetamide
CID 64698163
4-(2-fluoro-3-methoxyphenyl)pentan-2-one
CID 82810773
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenoxy)pentan-2-one?
The IUPAC name of 4-(3-chloro-2-fluorophenoxy)pentan-2-one (CID 116689446) is 4-(3-chloro-2-fluorophenoxy)pentan-2-one.
What is the SMILES notation for 4-(3-chloro-2-fluorophenoxy)pentan-2-one?
The canonical SMILES for 4-(3-chloro-2-fluorophenoxy)pentan-2-one is CC(=O)CC(C)Oc1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenoxy)pentan-2-one?
The InChIKey is ASQYMJZKVMLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-7(14)6-8(2)15-10-5-3-4-9(12)11(10)13/h3-5,8H,6H2,1-2H3.
What are the key properties of 4-(3-chloro-2-fluorophenoxy)pentan-2-one?
4-(3-chloro-2-fluorophenoxy)pentan-2-one has a molecular weight of 230.67 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenoxy)pentan-2-one is sourced from PubChem (CID 116689446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).