2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid

C9H5F5O3 — CID 43651852

IUPAC2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)C(F)(F)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C9H5F5O3/c10-8(11,12)5-3-1-2-4-6(5)17-9(13,14)7(15)16/h1-4H,(H,15,16)
InChIKeyMBSGVNXHUFEUGE-UHFFFAOYSA-N
MW256.13 g/mol
LogP2.76
Rot. Bonds3

About 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid

2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid (PubChem CID 43651852) has the molecular formula C9H5F5O3 and a molecular weight of 256.13 g/mol. Its IUPAC name is 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
PubChem CID43651852
Molecular FormulaC9H5F5O3
Molecular Weight256.13 g/mol
Exact Mass256.02
IUPAC Name2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
SMILESO=C(O)C(F)(F)Oc1ccccc1C(F)(F)F
InChIInChI=1S/C9H5F5O3/c10-8(11,12)5-3-1-2-4-6(5)17-9(13,14)7(15)16/h1-4H,(H,15,16)
InChIKeyMBSGVNXHUFEUGE-UHFFFAOYSA-N
XLogP2.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(trifluoromethyl)phenoxy]-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 59712997
2-(3-chloro-2-fluorophenoxy)-2,2-difluoroacetic acid
CID 116688443
1-(trifluoromethyl)-2-(trioxidanyl)benzene
CID 90090686
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
CID 43651840
2-fluoro-4-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 107677517
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
2-bromo-6-[2-(trifluoromethyl)phenoxy]benzoic acid
CID 114888536
but-1-ene;[2-(trifluoromethyl)phenyl] hydrogen carbonate
CID 160721930
5-[2-(trifluoromethyl)phenoxy]pentan-2-one
CID 43793519
1-methoxy-3-[2-(trifluoromethyl)phenoxy]propan-2-one
CID 107507935
ethane;1-methoxy-2-(trifluoromethyl)benzene
CID 143508037
2-(trifluoromethyl)phenol
CID 162212145

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid?
The IUPAC name of 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid (CID 43651852) is 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid.
What is the SMILES notation for 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid?
The canonical SMILES for 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid is O=C(O)C(F)(F)Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid?
The InChIKey is MBSGVNXHUFEUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F5O3/c10-8(11,12)5-3-1-2-4-6(5)17-9(13,14)7(15)16/h1-4H,(H,15,16).
What are the key properties of 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid?
2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid has a molecular weight of 256.13 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid is sourced from PubChem (CID 43651852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).