2-(2,5-difluorophenyl)acetate

C8H5F2O2- — CID 6951702

IUPAC2-(2,5-difluorophenyl)acetate
SMILESO=C([O-])Cc1cc(F)ccc1F
InChIInChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyFKCRTRYQHZHXES-UHFFFAOYSA-M
MW171.12 g/mol
LogP0.26
Rot. Bonds2

About 2-(2,5-difluorophenyl)acetate

2-(2,5-difluorophenyl)acetate (PubChem CID 6951702) has the molecular formula C8H5F2O2- and a molecular weight of 171.12 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)acetate.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)acetate
PubChem CID6951702
Molecular FormulaC8H5F2O2-
Molecular Weight171.12 g/mol
Exact Mass171.03
IUPAC Name2-(2,5-difluorophenyl)acetate
SMILESO=C([O-])Cc1cc(F)ccc1F
InChIInChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)/p-1
InChIKeyFKCRTRYQHZHXES-UHFFFAOYSA-M
XLogP0.26
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.12
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,5-difluorophenyl)acetamide
CID 21245498
1-chloro-3-(2,5-difluorophenyl)propan-2-one
CID 131011955
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874
sodium 2-(2,4,5-trifluorophenyl)acetate
CID 102551693
propan-2-yl 3-(2,5-difluorophenyl)-2-oxopropanoate
CID 18370385
3-(2,5-difluorophenyl)-2,2-difluoropropanoic acid
CID 116838238
2-ethyl-1,4-difluorobenzene
CID 23202513
3-(2,5-difluorophenyl)-1,1-dimethoxypropan-2-one
CID 79493020
1-(2-chloro-4-fluorophenyl)-2-(2,5-difluorophenyl)ethanone
CID 62945008
1-(2,5-difluorophenyl)-3,3-dimethylpentan-2-one
CID 114964075
(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
(2,5-difluorophenyl)methylcarbamic acid
CID 21076562

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)acetate?
The IUPAC name of 2-(2,5-difluorophenyl)acetate (CID 6951702) is 2-(2,5-difluorophenyl)acetate.
What is the SMILES notation for 2-(2,5-difluorophenyl)acetate?
The canonical SMILES for 2-(2,5-difluorophenyl)acetate is O=C([O-])Cc1cc(F)ccc1F.
What is the InChIKey of 2-(2,5-difluorophenyl)acetate?
The InChIKey is FKCRTRYQHZHXES-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6F2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)/p-1.
What are the key properties of 2-(2,5-difluorophenyl)acetate?
2-(2,5-difluorophenyl)acetate has a molecular weight of 171.12 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)acetate is sourced from PubChem (CID 6951702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).