2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid

C6H3F3N2O2 — CID 66608972

IUPAC2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid
SMILESO=C(O)C(F)(F)c1ncc(F)cn1
InChIInChI=1S/C6H3F3N2O2/c7-3-1-10-4(11-2-3)6(8,9)5(12)13/h1-2H,(H,12,13)
InChIKeyNSWZNVGVZANETB-UHFFFAOYSA-N
MW192.10 g/mol
LogP0.79
Rot. Bonds2

About 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid

2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid (PubChem CID 66608972) has the molecular formula C6H3F3N2O2 and a molecular weight of 192.10 g/mol. Its IUPAC name is 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid
PubChem CID66608972
Molecular FormulaC6H3F3N2O2
Molecular Weight192.10 g/mol
Exact Mass192.01
IUPAC Name2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid
SMILESO=C(O)C(F)(F)c1ncc(F)cn1
InChIInChI=1S/C6H3F3N2O2/c7-3-1-10-4(11-2-3)6(8,9)5(12)13/h1-2H,(H,12,13)
InChIKeyNSWZNVGVZANETB-UHFFFAOYSA-N
XLogP0.79
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.10
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid?
The IUPAC name of 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid (CID 66608972) is 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid is O=C(O)C(F)(F)c1ncc(F)cn1.
What is the InChIKey of 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid?
The InChIKey is NSWZNVGVZANETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N2O2/c7-3-1-10-4(11-2-3)6(8,9)5(12)13/h1-2H,(H,12,13).
What are the key properties of 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid?
2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid has a molecular weight of 192.10 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(5-fluoropyrimidin-2-yl)acetic acid is sourced from PubChem (CID 66608972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).