3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid

C15H24F3NO2 — CID 65069192

IUPAC3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H24F3NO2/c1-2-7-14(13(20)21)8-9-19(10-14)12-5-3-11(4-6-12)15(16,17)18/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyIFWNCUAVHBBCMQ-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.68
Rot. Bonds4

About 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid

3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid (PubChem CID 65069192) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
PubChem CID65069192
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(C2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C15H24F3NO2/c1-2-7-14(13(20)21)8-9-19(10-14)12-5-3-11(4-6-12)15(16,17)18/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyIFWNCUAVHBBCMQ-UHFFFAOYSA-N
XLogP3.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068943
1-(oxepan-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65080564
1-cycloheptyl-3-propylpiperidine-3-carboxylic acid
CID 65068602
1-(4-propan-2-ylcyclohexyl)-3-propylpiperidine-3-carboxylic acid
CID 65069083
1-(4-ethylcyclohexyl)-4-propylpiperidine-4-carboxylic acid
CID 64747380
1-(oxan-3-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 65069095
1-(2-hydroxycyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 55165781
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 65065214
3-ethyl-1-(4-methylcyclohexyl)piperidine-3-carboxylic acid
CID 64747777
1-(2-methylsulfonylcyclopentyl)-3-propylpyrrolidine-3-carboxylic acid
CID 65068564
1-(3-cyclohexylpropanoyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63144756
1-cyclopentyl-4-ethylpiperidine-4-carboxylic acid
CID 63126612

Frequently Asked Questions

What is the IUPAC name of 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid (CID 65069192) is 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(C2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IFWNCUAVHBBCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c1-2-7-14(13(20)21)8-9-19(10-14)12-5-3-11(4-6-12)15(16,17)18/h11-12H,2-10H2,1H3,(H,20,21).
What are the key properties of 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid?
3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-1-[4-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65069192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).