oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

C14H22F3NO2 — CID 167972281

IUPACoxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C14H22F3NO2/c1-2-6-13(14(15,16)17)7-3-8-18(13)12(19)11-4-9-20-10-5-11/h11H,2-10H2,1H3
InChIKeyBJQUCKUMUWQGKD-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.14
Rot. Bonds3

About oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone

oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (PubChem CID 167972281) has the molecular formula C14H22F3NO2 and a molecular weight of 293.33 g/mol. Its IUPAC name is oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
PubChem CID167972281
Molecular FormulaC14H22F3NO2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC Nameoxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
SMILESCCCC1(C(F)(F)F)CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C14H22F3NO2/c1-2-6-13(14(15,16)17)7-3-8-18(13)12(19)11-4-9-20-10-5-11/h11H,2-10H2,1H3
InChIKeyBJQUCKUMUWQGKD-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone (CID 167972281) is oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is CCCC1(C(F)(F)F)CCCN1C(=O)C1CCOCC1.
What is the InChIKey of oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
The InChIKey is BJQUCKUMUWQGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO2/c1-2-6-13(14(15,16)17)7-3-8-18(13)12(19)11-4-9-20-10-5-11/h11H,2-10H2,1H3.
What are the key properties of oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone?
oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone has a molecular weight of 293.33 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[2-propyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 167972281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).