cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone

C14H22F3NO2 — CID 102553692

IUPACcycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)12(19)11-8-5-9-18(11)13(20)10-6-3-1-2-4-7-10/h10-12,19H,1-9H2
InChIKeyUQRQMFHRZAHMKP-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.87
Rot. Bonds2

About cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone

cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 102553692) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID102553692
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Namecycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESO=C(C1CCCCCC1)N1CCCC1C(O)C(F)(F)F
InChIInChI=1S/C14H22F3NO2/c15-14(16,17)12(19)11-8-5-9-18(11)13(20)10-6-3-1-2-4-7-10/h10-12,19H,1-9H2
InChIKeyUQRQMFHRZAHMKP-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 102553692) is cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone is O=C(C1CCCCCC1)N1CCCC1C(O)C(F)(F)F.
What is the InChIKey of cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is UQRQMFHRZAHMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c15-14(16,17)12(19)11-8-5-9-18(11)13(20)10-6-3-1-2-4-7-10/h10-12,19H,1-9H2.
What are the key properties of cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone?
cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone has a molecular weight of 293.33 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102553692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).