fluoro 2-fluoro-2-(3-fluorophenyl)acetate

C8H5F3O2 — CID 174649887

IUPACfluoro 2-fluoro-2-(3-fluorophenyl)acetate
SMILESO=C(OF)C(F)c1cccc(F)c1
InChIInChI=1S/C8H5F3O2/c9-6-3-1-2-5(4-6)7(10)8(12)13-11/h1-4,7H
InChIKeyNNSSXSUFJAXDKQ-UHFFFAOYSA-N
MW190.12 g/mol
LogP2.26
Rot. Bonds2

About fluoro 2-fluoro-2-(3-fluorophenyl)acetate

fluoro 2-fluoro-2-(3-fluorophenyl)acetate (PubChem CID 174649887) has the molecular formula C8H5F3O2 and a molecular weight of 190.12 g/mol. Its IUPAC name is fluoro 2-fluoro-2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Namefluoro 2-fluoro-2-(3-fluorophenyl)acetate
PubChem CID174649887
Molecular FormulaC8H5F3O2
Molecular Weight190.12 g/mol
Exact Mass190.02
IUPAC Namefluoro 2-fluoro-2-(3-fluorophenyl)acetate
SMILESO=C(OF)C(F)c1cccc(F)c1
InChIInChI=1S/C8H5F3O2/c9-6-3-1-2-5(4-6)7(10)8(12)13-11/h1-4,7H
InChIKeyNNSSXSUFJAXDKQ-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.12
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
1-(3-fluorophenyl)ethyl carbamate
CID 174605012
2-chloro-2-(3-fluorophenyl)acetamide
CID 62225850
bromo 2-(3-fluorophenyl)propanoate
CID 174735540
methyl 2-aminooxy-2-(3-fluorophenyl)acetate
CID 105451939
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
diphenyl 2-(3-fluorophenyl)propanedioate
CID 121272910
(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
CID 87816852
CID 87816852
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547

Frequently Asked Questions

What is the IUPAC name of fluoro 2-fluoro-2-(3-fluorophenyl)acetate?
The IUPAC name of fluoro 2-fluoro-2-(3-fluorophenyl)acetate (CID 174649887) is fluoro 2-fluoro-2-(3-fluorophenyl)acetate.
What is the SMILES notation for fluoro 2-fluoro-2-(3-fluorophenyl)acetate?
The canonical SMILES for fluoro 2-fluoro-2-(3-fluorophenyl)acetate is O=C(OF)C(F)c1cccc(F)c1.
What is the InChIKey of fluoro 2-fluoro-2-(3-fluorophenyl)acetate?
The InChIKey is NNSSXSUFJAXDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3O2/c9-6-3-1-2-5(4-6)7(10)8(12)13-11/h1-4,7H.
What are the key properties of fluoro 2-fluoro-2-(3-fluorophenyl)acetate?
fluoro 2-fluoro-2-(3-fluorophenyl)acetate has a molecular weight of 190.12 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-fluoro-2-(3-fluorophenyl)acetate is sourced from PubChem (CID 174649887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).