2-deuterio-2-(2-fluorophenyl)acetic acid

C8H7FO2 — CID 139238506

IUPAC2-deuterio-2-(2-fluorophenyl)acetic acid
SMILES[2H]C(C(=O)O)c1ccccc1F
InChIInChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)/i5D
InChIKeyRPTRFSADOICSSK-UICOGKGYSA-N
MW155.15 g/mol
LogP1.45
Rot. Bonds2

About 2-deuterio-2-(2-fluorophenyl)acetic acid

2-deuterio-2-(2-fluorophenyl)acetic acid (PubChem CID 139238506) has the molecular formula C8H7FO2 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-deuterio-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-deuterio-2-(2-fluorophenyl)acetic acid
PubChem CID139238506
Molecular FormulaC8H7FO2
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC Name2-deuterio-2-(2-fluorophenyl)acetic acid
SMILES[2H]C(C(=O)O)c1ccccc1F
InChIInChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)/i5D
InChIKeyRPTRFSADOICSSK-UICOGKGYSA-N
XLogP1.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2-fluorophenyl)propanoic acid
CID 2063866
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
fluoro 2-(2-fluorophenyl)acetate
CID 143971314
2-[(2-fluorophenyl)methylamino]acetic acid
CID 5005584
2-[[2-(2-fluorophenyl)acetyl]amino]acetic acid
CID 16785853
3-[(2-fluorophenyl)methylsulfanyl]propanoic acid
CID 3239663
2-[2-(2-fluorophenyl)ethylsulfanyl]acetic acid
CID 82158540
1-(2-fluorophenyl)-3-phenoxypropan-2-one
CID 43799913
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
2-(2,3-difluorophenyl)acetic acid;hydrochloride
CID 172702403
1,5-bis(2-fluorophenyl)pentan-3-one
CID 70057472
2-(3-fluoro-2-phenylphenyl)acetic acid
CID 46314797

Frequently Asked Questions

What is the IUPAC name of 2-deuterio-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-deuterio-2-(2-fluorophenyl)acetic acid (CID 139238506) is 2-deuterio-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-deuterio-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-deuterio-2-(2-fluorophenyl)acetic acid is [2H]C(C(=O)O)c1ccccc1F.
What is the InChIKey of 2-deuterio-2-(2-fluorophenyl)acetic acid?
The InChIKey is RPTRFSADOICSSK-UICOGKGYSA-N. The full InChI is InChI=1S/C8H7FO2/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4H,5H2,(H,10,11)/i5D.
What are the key properties of 2-deuterio-2-(2-fluorophenyl)acetic acid?
2-deuterio-2-(2-fluorophenyl)acetic acid has a molecular weight of 155.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuterio-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 139238506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).