(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

C12H11F4NO2 — CID 165405329

IUPAC(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccncc1F)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H11F4NO2/c13-9-6-17-4-1-7(9)8(5-10(18)19)11(2-3-11)12(14,15)16/h1,4,6,8H,2-3,5H2,(H,18,19)/t8-/m1/s1
InChIKeyIJJMCZIFGVSKAI-MRVPVSSYSA-N
MW277.22 g/mol
LogP3.12
Rot. Bonds4

About (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid

(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (PubChem CID 165405329) has the molecular formula C12H11F4NO2 and a molecular weight of 277.22 g/mol. Its IUPAC name is (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.

Molecular Properties

Compound Name(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
PubChem CID165405329
Molecular FormulaC12H11F4NO2
Molecular Weight277.22 g/mol
Exact Mass277.07
IUPAC Name(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
SMILESO=C(O)C[C@H](c1ccncc1F)C1(C(F)(F)F)CC1
InChIInChI=1S/C12H11F4NO2/c13-9-6-17-4-1-7(9)8(5-10(18)19)11(2-3-11)12(14,15)16/h1,4,6,8H,2-3,5H2,(H,18,19)/t8-/m1/s1
InChIKeyIJJMCZIFGVSKAI-MRVPVSSYSA-N
XLogP3.12
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405569
3-pyridin-2-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165405539
4-(3-fluoro-4-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171877157
(3S)-3-(5-chloropyrimidin-2-yl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid;sulfane
CID 167630147
4-[(2S)-2-(dimethylamino)-3-[[(3S)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoyl]amino]propyl]-N,3-dimethylbenzamide;molecular hydrogen
CID 165405593
(3S)-3-thiophen-3-yl-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid
CID 165404920
2-(3-fluoro-4-pyridinyl)-2-hydroxyacetic acid
CID 104737624
(3-fluoro-4-pyridinyl)-(1-methylcyclopentyl)methanol
CID 115834007
1-[(3-fluoro-4-pyridinyl)-hydroxymethyl]-4-methyl-7-azabicyclo[2.2.1]heptane-7-carboxylic acid
CID 170328788
(3-fluoro-4-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 104737561
3,4-dihydroxy-4-[4-(trifluoromethyl)-3-pyridinyl]butanoic acid
CID 171878084
3-amino-3-(3-hydroxy-4-pyridinyl)propanoic acid
CID 55293779

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The IUPAC name of (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid (CID 165405329) is (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid.
What is the SMILES notation for (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The canonical SMILES for (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is O=C(O)C[C@H](c1ccncc1F)C1(C(F)(F)F)CC1.
What is the InChIKey of (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
The InChIKey is IJJMCZIFGVSKAI-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H11F4NO2/c13-9-6-17-4-1-7(9)8(5-10(18)19)11(2-3-11)12(14,15)16/h1,4,6,8H,2-3,5H2,(H,18,19)/t8-/m1/s1.
What are the key properties of (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid?
(3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid has a molecular weight of 277.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluoro-4-pyridinyl)-3-[1-(trifluoromethyl)cyclopropyl]propanoic acid is sourced from PubChem (CID 165405329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).