2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one

C15H23F4NO — CID 89317351

IUPAC2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
SMILESCCNC(CC1CCC2(CC1)C(F)(F)C2(F)F)C(=O)CC
InChIInChI=1S/C15H23F4NO/c1-3-12(21)11(20-4-2)9-10-5-7-13(8-6-10)14(16,17)15(13,18)19/h10-11,20H,3-9H2,1-2H3
InChIKeyZFKKTYNCKRGRNJ-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.79
Rot. Bonds6

About 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one

2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one (PubChem CID 89317351) has the molecular formula C15H23F4NO and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
PubChem CID89317351
Molecular FormulaC15H23F4NO
Molecular Weight309.35 g/mol
Exact Mass309.17
IUPAC Name2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one
SMILESCCNC(CC1CCC2(CC1)C(F)(F)C2(F)F)C(=O)CC
InChIInChI=1S/C15H23F4NO/c1-3-12(21)11(20-4-2)9-10-5-7-13(8-6-10)14(16,17)15(13,18)19/h10-11,20H,3-9H2,1-2H3
InChIKeyZFKKTYNCKRGRNJ-UHFFFAOYSA-N
XLogP3.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one?
The IUPAC name of 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one (CID 89317351) is 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one.
What is the SMILES notation for 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one?
The canonical SMILES for 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one is CCNC(CC1CCC2(CC1)C(F)(F)C2(F)F)C(=O)CC.
What is the InChIKey of 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one?
The InChIKey is ZFKKTYNCKRGRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F4NO/c1-3-12(21)11(20-4-2)9-10-5-7-13(8-6-10)14(16,17)15(13,18)19/h10-11,20H,3-9H2,1-2H3.
What are the key properties of 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one?
2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one has a molecular weight of 309.35 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-1-(1,1,2,2-tetrafluorospiro[2.5]octan-6-yl)pentan-3-one is sourced from PubChem (CID 89317351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).