N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide

C11H18F3NO — CID 131913724

IUPACN-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide
SMILESCC(C)(C)C1(NC(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-9(2,3)10(6-7-10)15-8(16)4-5-11(12,13)14/h4-7H2,1-3H3,(H,15,16)
InChIKeyJHWOMYIXBXYWPU-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.02
Rot. Bonds3

About N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide

N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide (PubChem CID 131913724) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide.

Molecular Properties

Compound NameN-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide
PubChem CID131913724
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC NameN-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide
SMILESCC(C)(C)C1(NC(=O)CCC(F)(F)F)CC1
InChIInChI=1S/C11H18F3NO/c1-9(2,3)10(6-7-10)15-8(16)4-5-11(12,13)14/h4-7H2,1-3H3,(H,15,16)
InChIKeyJHWOMYIXBXYWPU-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide?
The IUPAC name of N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide (CID 131913724) is N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide.
What is the SMILES notation for N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide?
The canonical SMILES for N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide is CC(C)(C)C1(NC(=O)CCC(F)(F)F)CC1.
What is the InChIKey of N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide?
The InChIKey is JHWOMYIXBXYWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(2,3)10(6-7-10)15-8(16)4-5-11(12,13)14/h4-7H2,1-3H3,(H,15,16).
What are the key properties of N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide?
N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide has a molecular weight of 237.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide is sourced from PubChem (CID 131913724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).