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

C15H24F3NO2 — CID 104622418

IUPAC[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19-9-3-5-11(19)6-4-10-20/h11-13,20H,1-10H2
InChIKeyFCOSIQWYHUMTIG-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.12
Rot. Bonds4

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

[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 104622418) has the molecular formula C15H24F3NO2 and a molecular weight of 307.36 g/mol. Its IUPAC name is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
PubChem CID104622418
Molecular FormulaC15H24F3NO2
Molecular Weight307.36 g/mol
Exact Mass307.18
IUPAC Name[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
SMILESO=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCO
InChIInChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19-9-3-5-11(19)6-4-10-20/h11-13,20H,1-10H2
InChIKeyFCOSIQWYHUMTIG-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
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
[2-(Hydroxymethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 77211822
3,3,3-Trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
4,4,4-Trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]butan-1-one
CID 79546768
(4,4-Difluorocyclohexyl)-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]methanone
CID 81929023
[2-(2-Hydroxypropyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929024
[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-[3-(trifluoromethyl)cyclohexyl]methanone
CID 81929259
[2-(3-Hydroxypropyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929260
(4,4-Difluorocyclohexyl)-[2-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 81932215
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81932627
[3-(Hydroxymethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81932639

Frequently Asked Questions

What is the IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone (CID 104622418) is [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is O=C(C1CCCCC1C(F)(F)F)N1CCCC1CCCO.
What is the InChIKey of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is FCOSIQWYHUMTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO2/c16-15(17,18)13-8-2-1-7-12(13)14(21)19-9-3-5-11(19)6-4-10-20/h11-13,20H,1-10H2.
What are the key properties of [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone?
[2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 307.36 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-hydroxypropyl)pyrrolidin-1-yl]-[2-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 104622418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).