2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C14H23F3N2O2 — CID 114339583

IUPAC2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCC1C1CCCCC1O)NCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-13(21)8-19-7-3-5-11(19)10-4-1-2-6-12(10)20/h10-12,20H,1-9H2,(H,18,21)
InChIKeyMEIDFMBZBPYYMA-UHFFFAOYSA-N
MW308.34 g/mol
LogP1.68
Rot. Bonds4

About 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114339583) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114339583
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC Name2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CN1CCCC1C1CCCCC1O)NCC(F)(F)F
InChIInChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-13(21)8-19-7-3-5-11(19)10-4-1-2-6-12(10)20/h10-12,20H,1-9H2,(H,18,21)
InChIKeyMEIDFMBZBPYYMA-UHFFFAOYSA-N
XLogP1.68
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]acetamide
CID 114339537
N-ethyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340200
N-cyclopropyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339177
N-tert-butyl-2-[2-(2-hydroxycyclopentyl)piperidin-1-yl]acetamide
CID 114340286
2-[2-(2-hydroxycyclohexyl)piperidin-1-yl]-N-propan-2-ylacetamide
CID 114339958
N-butyl-2-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]acetamide
CID 114339149
2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323249
2-[(2R)-2-[(1S,2R)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-N-(oxan-4-yl)acetamide
CID 129323248
2-[1-(2,2,2-trifluoroethyl)piperidin-2-yl]cyclohexan-1-ol
CID 114339767
2-[2-(aminomethyl)piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 61492406
3,3,3-trifluoro-1-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]propan-1-one
CID 79546605
N-(cyclohexylcarbamoyl)-2-[(2R)-2-[(1R,2R)-2-hydroxycyclohexyl]piperidin-1-yl]acetamide
CID 124863508

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 114339583) is 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CN1CCCC1C1CCCCC1O)NCC(F)(F)F.
What is the InChIKey of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MEIDFMBZBPYYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c15-14(16,17)9-18-13(21)8-19-7-3-5-11(19)10-4-1-2-6-12(10)20/h10-12,20H,1-9H2,(H,18,21).
What are the key properties of 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 308.34 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114339583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).