4-(3,4-difluorophenoxy)-4-methylpentan-2-one

C12H14F2O2 — CID 82081319

IUPAC4-(3,4-difluorophenoxy)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-8(15)7-12(2,3)16-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3
InChIKeyUVYULBFIDWFSKU-UHFFFAOYSA-N
MW228.24 g/mol
LogP3.10
Rot. Bonds4

About 4-(3,4-difluorophenoxy)-4-methylpentan-2-one

4-(3,4-difluorophenoxy)-4-methylpentan-2-one (PubChem CID 82081319) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)-4-methylpentan-2-one
PubChem CID82081319
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name4-(3,4-difluorophenoxy)-4-methylpentan-2-one
SMILESCC(=O)CC(C)(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C12H14F2O2/c1-8(15)7-12(2,3)16-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3
InChIKeyUVYULBFIDWFSKU-UHFFFAOYSA-N
XLogP3.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3,4-difluorophenoxy)-4-methylpentanoic acid
CID 82085388
3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoic acid
CID 146594826
4-(3,4-difluorophenoxy)pentan-2-one
CID 64698357
propan-2-yl 3-(4-fluoro-3-methoxyphenoxy)-3-methylbutanoate
CID 146594836
(3,4-difluorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]methanone
CID 146005344
ethyl 2-(3,4-difluorophenoxy)-3-(4-hydroxyphenyl)-2-methylpropanoate
CID 69319839
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64719345
methyl 3-(3,4-difluorophenoxy)-2,2-dimethylpropanoate
CID 79622618
4-methyl-4-[4-[2-(4-methylphenyl)acetyl]phenoxy]pentan-2-one
CID 153375381
4-methyl-4-[4-[2-(4-methylphenyl)ethoxy]phenoxy]pentan-2-one
CID 153375370
bis(3,4-difluorophenyl) propanedioate
CID 90195185

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)-4-methylpentan-2-one?
The IUPAC name of 4-(3,4-difluorophenoxy)-4-methylpentan-2-one (CID 82081319) is 4-(3,4-difluorophenoxy)-4-methylpentan-2-one.
What is the SMILES notation for 4-(3,4-difluorophenoxy)-4-methylpentan-2-one?
The canonical SMILES for 4-(3,4-difluorophenoxy)-4-methylpentan-2-one is CC(=O)CC(C)(C)Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)-4-methylpentan-2-one?
The InChIKey is UVYULBFIDWFSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c1-8(15)7-12(2,3)16-9-4-5-10(13)11(14)6-9/h4-6H,7H2,1-3H3.
What are the key properties of 4-(3,4-difluorophenoxy)-4-methylpentan-2-one?
4-(3,4-difluorophenoxy)-4-methylpentan-2-one has a molecular weight of 228.24 g/mol, XLogP of 3.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenoxy)-4-methylpentan-2-one is sourced from PubChem (CID 82081319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).