1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one

C13H17F6NO2 — CID 13179705

IUPAC1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one
SMILESO=C1CCC(OC(C(F)(F)F)C(F)(F)F)N1C1CCCCC1
InChIInChI=1S/C13H17F6NO2/c14-12(15,16)11(13(17,18)19)22-10-7-6-9(21)20(10)8-4-2-1-3-5-8/h8,10-11H,1-7H2
InChIKeyNZGUBDMYIOCELZ-UHFFFAOYSA-N
MW333.27 g/mol
LogP3.78
Rot. Bonds3

About 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one

1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one (PubChem CID 13179705) has the molecular formula C13H17F6NO2 and a molecular weight of 333.27 g/mol. Its IUPAC name is 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one
PubChem CID13179705
Molecular FormulaC13H17F6NO2
Molecular Weight333.27 g/mol
Exact Mass333.12
IUPAC Name1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one
SMILESO=C1CCC(OC(C(F)(F)F)C(F)(F)F)N1C1CCCCC1
InChIInChI=1S/C13H17F6NO2/c14-12(15,16)11(13(17,18)19)22-10-7-6-9(21)20(10)8-4-2-1-3-5-8/h8,10-11H,1-7H2
InChIKeyNZGUBDMYIOCELZ-UHFFFAOYSA-N
XLogP3.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.27
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one?
The IUPAC name of 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one (CID 13179705) is 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one?
The canonical SMILES for 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one is O=C1CCC(OC(C(F)(F)F)C(F)(F)F)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one?
The InChIKey is NZGUBDMYIOCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6NO2/c14-12(15,16)11(13(17,18)19)22-10-7-6-9(21)20(10)8-4-2-1-3-5-8/h8,10-11H,1-7H2.
What are the key properties of 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one?
1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one has a molecular weight of 333.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyrrolidin-2-one is sourced from PubChem (CID 13179705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).