[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

C14H17F3N2O2 — CID 62468280

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1CCCO
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-5-10(9-18-12)13(21)19-7-1-3-11(19)4-2-8-20/h5-6,9,11,20H,1-4,7-8H2
InChIKeyLCUKOAWOPUGMIV-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.48
Rot. Bonds4

About [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 62468280) has the molecular formula C14H17F3N2O2 and a molecular weight of 302.30 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID62468280
Molecular FormulaC14H17F3N2O2
Molecular Weight302.30 g/mol
Exact Mass302.12
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1CCCO
InChIInChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-5-10(9-18-12)13(21)19-7-1-3-11(19)4-2-8-20/h5-6,9,11,20H,1-4,7-8H2
InChIKeyLCUKOAWOPUGMIV-UHFFFAOYSA-N
XLogP2.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 62468280) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is LCUKOAWOPUGMIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2/c15-14(16,17)12-6-5-10(9-18-12)13(21)19-7-1-3-11(19)4-2-8-20/h5-6,9,11,20H,1-4,7-8H2.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 302.30 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 62468280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).