N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide

C10H16F3NO — CID 115881743

IUPACN-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide
SMILESCC1(C)CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-9(2)4-3-7(5-9)14-8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyZNIZFXPUCFZINZ-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.63
Rot. Bonds2

About N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide

N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide (PubChem CID 115881743) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide
PubChem CID115881743
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide
SMILESCC1(C)CCC(NC(=O)CC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO/c1-9(2)4-3-7(5-9)14-8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15)
InChIKeyZNIZFXPUCFZINZ-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide (CID 115881743) is N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide is CC1(C)CCC(NC(=O)CC(F)(F)F)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide?
The InChIKey is ZNIZFXPUCFZINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-9(2)4-3-7(5-9)14-8(15)6-10(11,12)13/h7H,3-6H2,1-2H3,(H,14,15).
What are the key properties of N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide?
N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide has a molecular weight of 223.24 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 115881743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).