(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C6H8F3NO2 — CID 51647572

IUPAC(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)/t5-/m1/s1
InChIKeyVEUBBZBEISLEIY-RXMQYKEDSA-N
MW183.13 g/mol
LogP0.61
Rot. Bonds1

About (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 51647572) has the molecular formula C6H8F3NO2 and a molecular weight of 183.13 g/mol. Its IUPAC name is (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID51647572
Molecular FormulaC6H8F3NO2
Molecular Weight183.13 g/mol
Exact Mass183.05
IUPAC Name(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@]1(C(F)(F)F)CCNC1
InChIInChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)/t5-/m1/s1
InChIKeyVEUBBZBEISLEIY-RXMQYKEDSA-N
XLogP0.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.13
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(1,1-difluoroethyl)piperidine-4-carboxylic acid
CID 84772593
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
2-[carboxymethyl-[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 63722046
N-cyclopropyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708209
pyrimidin-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572790
N-[1-(hydroxymethyl)cyclopentyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709149
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344
2-[1-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]cyclopentyl]acetic acid
CID 64699770
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-(2-methylcyclopropyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709144
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
N,N-bis(prop-2-enyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63708749

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 51647572) is (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@]1(C(F)(F)F)CCNC1.
What is the InChIKey of (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is VEUBBZBEISLEIY-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12)/t5-/m1/s1.
What are the key properties of (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
(3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 183.13 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51647572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).