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

C17H21F3N2O2 — CID 128965499

IUPAC[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-7-11(10-21-15)16(24)22-9-3-5-13(22)12-4-1-2-6-14(12)23/h7-8,10,12-14,23H,1-6,9H2
InChIKeyDLRTZKRKEJJTDC-UHFFFAOYSA-N
MW342.36 g/mol
LogP3.26
Rot. Bonds2

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

[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (PubChem CID 128965499) has the molecular formula C17H21F3N2O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
PubChem CID128965499
Molecular FormulaC17H21F3N2O2
Molecular Weight342.36 g/mol
Exact Mass342.16
IUPAC Name[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O
InChIInChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-7-11(10-21-15)16(24)22-9-3-5-13(22)12-4-1-2-6-14(12)23/h7-8,10,12-14,23H,1-6,9H2
InChIKeyDLRTZKRKEJJTDC-UHFFFAOYSA-N
XLogP3.26
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The IUPAC name of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone (CID 128965499) is [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone.
What is the SMILES notation for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The canonical SMILES for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is O=C(c1ccc(C(F)(F)F)nc1)N1CCCC1C1CCCCC1O.
What is the InChIKey of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
The InChIKey is DLRTZKRKEJJTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O2/c18-17(19,20)15-8-7-11(10-21-15)16(24)22-9-3-5-13(22)12-4-1-2-6-14(12)23/h7-8,10,12-14,23H,1-6,9H2.
What are the key properties of [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone?
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone has a molecular weight of 342.36 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 128965499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).