(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

C14H17F3N2O — CID 102709361

IUPAC(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1(C(=O)c2cnccc2C(F)(F)F)CCNC1
InChIInChI=1S/C14H17F3N2O/c1-2-4-13(5-7-19-9-13)12(20)10-8-18-6-3-11(10)14(15,16)17/h3,6,8,19H,2,4-5,7,9H2,1H3
InChIKeyIACUYGUEIRNIKX-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.06
Rot. Bonds4

About (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone

(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 102709361) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID102709361
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
SMILESCCCC1(C(=O)c2cnccc2C(F)(F)F)CCNC1
InChIInChI=1S/C14H17F3N2O/c1-2-4-13(5-7-19-9-13)12(20)10-8-18-6-3-11(10)14(15,16)17/h3,6,8,19H,2,4-5,7,9H2,1H3
InChIKeyIACUYGUEIRNIKX-UHFFFAOYSA-N
XLogP3.06
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone (CID 102709361) is (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is CCCC1(C(=O)c2cnccc2C(F)(F)F)CCNC1.
What is the InChIKey of (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is IACUYGUEIRNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-2-4-13(5-7-19-9-13)12(20)10-8-18-6-3-11(10)14(15,16)17/h3,6,8,19H,2,4-5,7,9H2,1H3.
What are the key properties of (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone?
(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 286.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 102709361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).