oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

C11H16F3NO2 — CID 116572819

IUPACoxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)8-1-5-17-6-2-8/h8,15H,1-7H2
InChIKeyVWHHZYQNDLHJKK-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.52
Rot. Bonds2

About oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone

oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (PubChem CID 116572819) has the molecular formula C11H16F3NO2 and a molecular weight of 251.25 g/mol. Its IUPAC name is oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Nameoxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
PubChem CID116572819
Molecular FormulaC11H16F3NO2
Molecular Weight251.25 g/mol
Exact Mass251.11
IUPAC Nameoxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
SMILESO=C(C1CCOCC1)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H16F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)8-1-5-17-6-2-8/h8,15H,1-7H2
InChIKeyVWHHZYQNDLHJKK-UHFFFAOYSA-N
XLogP1.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The IUPAC name of oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone (CID 116572819) is oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone.
What is the SMILES notation for oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The canonical SMILES for oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is O=C(C1CCOCC1)C1(C(F)(F)F)CCNC1.
What is the InChIKey of oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
The InChIKey is VWHHZYQNDLHJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO2/c12-11(13,14)10(3-4-15-7-10)9(16)8-1-5-17-6-2-8/h8,15H,1-7H2.
What are the key properties of oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone?
oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone has a molecular weight of 251.25 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone is sourced from PubChem (CID 116572819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).