1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

C13H16F3NO3 — CID 65061066

IUPAC1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-2-9(10-4-3-7-20-10)17-6-5-12(8-17,11(18)19)13(14,15)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyQIVUKXKEMABVPA-UHFFFAOYSA-N
MW291.27 g/mol
LogP3.07
Rot. Bonds4

About 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid

1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (PubChem CID 65061066) has the molecular formula C13H16F3NO3 and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
PubChem CID65061066
Molecular FormulaC13H16F3NO3
Molecular Weight291.27 g/mol
Exact Mass291.11
IUPAC Name1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
SMILESCCC(c1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1
InChIInChI=1S/C13H16F3NO3/c1-2-9(10-4-3-7-20-10)17-6-5-12(8-17,11(18)19)13(14,15)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19)
InChIKeyQIVUKXKEMABVPA-UHFFFAOYSA-N
XLogP3.07
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(furan-2-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060663
1-[1-(furan-2-yl)propyl]-4-methylpiperidine-4-carboxylic acid
CID 65064562
1-[1-(furan-2-yl)propyl]-3-methylpiperidine-3-carboxylic acid
CID 65069150
1-[1-(furan-2-yl)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060718
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-2-carboxylic acid
CID 65071570
1-[1-(2-hydroxyphenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060864
1-[2-amino-1-(furan-2-yl)butyl]-4-methylpiperidin-4-ol
CID 81097054
1-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63710730
1-[1-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 65060567
1-[1-(furan-2-yl)propyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79383098
1-[1-[1-(furan-2-yl)propyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 79316721
1-(ethylsulfamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 114806141

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid (CID 65061066) is 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is CCC(c1ccco1)N1CCC(C(=O)O)(C(F)(F)F)C1.
What is the InChIKey of 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is QIVUKXKEMABVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO3/c1-2-9(10-4-3-7-20-10)17-6-5-12(8-17,11(18)19)13(14,15)16/h3-4,7,9H,2,5-6,8H2,1H3,(H,18,19).
What are the key properties of 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid?
1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 291.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65061066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).