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

C11H12F2O2 — CID 64698357

IUPAC4-(3,4-difluorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O2/c1-7(14)5-8(2)15-9-3-4-10(12)11(13)6-9/h3-4,6,8H,5H2,1-2H3
InChIKeySRIDMKYKVFSRGW-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.71
Rot. Bonds4

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

4-(3,4-difluorophenoxy)pentan-2-one (PubChem CID 64698357) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 4-(3,4-difluorophenoxy)pentan-2-one.

Molecular Properties

Compound Name4-(3,4-difluorophenoxy)pentan-2-one
PubChem CID64698357
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name4-(3,4-difluorophenoxy)pentan-2-one
SMILESCC(=O)CC(C)Oc1ccc(F)c(F)c1
InChIInChI=1S/C11H12F2O2/c1-7(14)5-8(2)15-9-3-4-10(12)11(13)6-9/h3-4,6,8H,5H2,1-2H3
InChIKeySRIDMKYKVFSRGW-UHFFFAOYSA-N
XLogP2.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenoxy)pentan-2-one
CID 64698945
4-(3,5-difluorophenoxy)pentan-2-one
CID 64697141
2-(3,4-difluorophenoxy)propan-1-amine;hydrochloride
CID 86262702
2-(3,4-difluorophenoxy)-N-methylpropan-1-amine
CID 62485369
(3R)-3-(4-acetyl-3-fluorophenoxy)butanoic acid
CID 107714469
4-(4-ethylphenoxy)pentan-2-one
CID 64698154
2-(3,4-difluorophenoxy)-N-ethylpropan-1-amine
CID 62485370
2-(3,4-difluorophenoxy)pentan-3-one
CID 64869123
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoic acid
CID 64719345
4-(3,4,5-trimethoxyphenoxy)pentan-2-one
CID 113408873
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenoxy)pentan-2-one?
The IUPAC name of 4-(3,4-difluorophenoxy)pentan-2-one (CID 64698357) is 4-(3,4-difluorophenoxy)pentan-2-one.
What is the SMILES notation for 4-(3,4-difluorophenoxy)pentan-2-one?
The canonical SMILES for 4-(3,4-difluorophenoxy)pentan-2-one is CC(=O)CC(C)Oc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenoxy)pentan-2-one?
The InChIKey is SRIDMKYKVFSRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7(14)5-8(2)15-9-3-4-10(12)11(13)6-9/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-(3,4-difluorophenoxy)pentan-2-one?
4-(3,4-difluorophenoxy)pentan-2-one has a molecular weight of 214.21 g/mol, XLogP of 2.71, 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)pentan-2-one is sourced from PubChem (CID 64698357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).