N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

C12H12F9NO2 — CID 2832705

IUPACN-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(NC1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F9NO2/c13-8(14,7(23)22-6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)24-11/h6H,1-5H2,(H,22,23)
InChIKeyDSXFWEWRTUHFOG-UHFFFAOYSA-N
MW373.22 g/mol
LogP3.63
Rot. Bonds3

About N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (PubChem CID 2832705) has the molecular formula C12H12F9NO2 and a molecular weight of 373.22 g/mol. Its IUPAC name is N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
PubChem CID2832705
Molecular FormulaC12H12F9NO2
Molecular Weight373.22 g/mol
Exact Mass373.07
IUPAC NameN-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(NC1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H12F9NO2/c13-8(14,7(23)22-6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)24-11/h6H,1-5H2,(H,22,23)
InChIKeyDSXFWEWRTUHFOG-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.22
LogP ≤ 53.63
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 N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The IUPAC name of N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (CID 2832705) is N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.
What is the SMILES notation for N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The canonical SMILES for N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is O=C(NC1CCCCC1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The InChIKey is DSXFWEWRTUHFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F9NO2/c13-8(14,7(23)22-6-4-2-1-3-5-6)11(19)9(15,16)10(17,18)12(20,21)24-11/h6H,1-5H2,(H,22,23).
What are the key properties of N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide has a molecular weight of 373.22 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is sourced from PubChem (CID 2832705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).