N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide

C11H17F4NO — CID 103733980

IUPACN-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC1(C)CCC(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H17F4NO/c1-10(2)5-3-7(4-6-10)16-9(17)11(14,15)8(12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyRDYJPIYOJVGSKU-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.97
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide

N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103733980) has the molecular formula C11H17F4NO and a molecular weight of 255.25 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103733980
Molecular FormulaC11H17F4NO
Molecular Weight255.25 g/mol
Exact Mass255.12
IUPAC NameN-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide
SMILESCC1(C)CCC(NC(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C11H17F4NO/c1-10(2)5-3-7(4-6-10)16-9(17)11(14,15)8(12)13/h7-8H,3-6H2,1-2H3,(H,16,17)
InChIKeyRDYJPIYOJVGSKU-UHFFFAOYSA-N
XLogP2.97
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
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 N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide (CID 103733980) is N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide is CC1(C)CCC(NC(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is RDYJPIYOJVGSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F4NO/c1-10(2)5-3-7(4-6-10)16-9(17)11(14,15)8(12)13/h7-8H,3-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide?
N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 255.25 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103733980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).