2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide

C11H10F11NO2 — CID 162347879

IUPAC2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide
SMILESCN(C)C(=O)C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F11NO2/c1-23(2)5(25)4(24)3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h4,24H,3H2,1-2H3
InChIKeyVRXCVEPTLWXHGT-UHFFFAOYSA-N
MW397.18 g/mol
LogP2.72
Rot. Bonds3

About 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide

2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide (PubChem CID 162347879) has the molecular formula C11H10F11NO2 and a molecular weight of 397.18 g/mol. Its IUPAC name is 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide.

Molecular Properties

Compound Name2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide
PubChem CID162347879
Molecular FormulaC11H10F11NO2
Molecular Weight397.18 g/mol
Exact Mass397.05
IUPAC Name2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide
SMILESCN(C)C(=O)C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H10F11NO2/c1-23(2)5(25)4(24)3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h4,24H,3H2,1-2H3
InChIKeyVRXCVEPTLWXHGT-UHFFFAOYSA-N
XLogP2.72
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.18
LogP ≤ 52.72
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-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide?
The IUPAC name of 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide (CID 162347879) is 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide.
What is the SMILES notation for 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide?
The canonical SMILES for 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide is CN(C)C(=O)C(O)CC1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide?
The InChIKey is VRXCVEPTLWXHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F11NO2/c1-23(2)5(25)4(24)3-6(12)7(13,14)9(17,18)11(21,22)10(19,20)8(6,15)16/h4,24H,3H2,1-2H3.
What are the key properties of 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide?
2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide has a molecular weight of 397.18 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,N-dimethyl-3-(1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexyl)propanamide is sourced from PubChem (CID 162347879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).