[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

C14H22F3NO2 — CID 115746512

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(20)18-7-5-10(9-18)6-8-19/h10-12,19H,1-9H2
InChIKeyHUNMRLFSELXMNL-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.59
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 115746512) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID115746512
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCC(CCO)C1
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(20)18-7-5-10(9-18)6-8-19/h10-12,19H,1-9H2
InChIKeyHUNMRLFSELXMNL-UHFFFAOYSA-N
XLogP2.59
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-{[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}pyrrolidin-2-yl]methanol
CID 66960649
[(2S)-1-{[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}pyrrolidin-2-yl]methanol
CID 66962034
[(3S)-3-hydroxypyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 71922607
[2-(Hydroxymethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 77211822
[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81929259
[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929260
[2-(Hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81932096
[3-(Hydroxymethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932639
(4,4-difluorocyclohexyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81932645
(4,4-Difluorocyclohexyl)(3-(hydroxymethyl)pyrrolidin-1-yl)methanone
CID 81932659
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81932668
(4,4-Difluorocyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81932696

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 115746512) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is HUNMRLFSELXMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(20)18-7-5-10(9-18)6-8-19/h10-12,19H,1-9H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 115746512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).