2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide

C10H9F10NO — CID 88657249

IUPAC2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
SMILESCNC(=O)C(C)C1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F10NO/c1-3(4(22)21-2)6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h3,5H,1-2H3,(H,21,22)
InChIKeyJOKIIPVBWKTFDF-UHFFFAOYSA-N
MW349.17 g/mol
LogP2.97
Rot. Bonds2

About 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide

2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide (PubChem CID 88657249) has the molecular formula C10H9F10NO and a molecular weight of 349.17 g/mol. Its IUPAC name is 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
PubChem CID88657249
Molecular FormulaC10H9F10NO
Molecular Weight349.17 g/mol
Exact Mass349.05
IUPAC Name2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide
SMILESCNC(=O)C(C)C1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C10H9F10NO/c1-3(4(22)21-2)6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h3,5H,1-2H3,(H,21,22)
InChIKeyJOKIIPVBWKTFDF-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The IUPAC name of 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide (CID 88657249) is 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide.
What is the SMILES notation for 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The canonical SMILES for 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide is CNC(=O)C(C)C1(F)C(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
The InChIKey is JOKIIPVBWKTFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F10NO/c1-3(4(22)21-2)6(12)5(11)7(13,14)9(17,18)10(19,20)8(6,15)16/h3,5H,1-2H3,(H,21,22).
What are the key properties of 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide?
2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide has a molecular weight of 349.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2,3,3,4,4,5,5,6-decafluorocyclohexyl)-N-methylpropanamide is sourced from PubChem (CID 88657249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).