N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

C10H16F3NO — CID 76610384

IUPACN-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-6(2)7(3)14-8(15)9(4-5-9)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKPYBHHGEVMFHPT-UHFFFAOYSA-N
MW223.24 g/mol
LogP2.49
Rot. Bonds3

About N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 76610384) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID76610384
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC NameN-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)C(C)NC(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H16F3NO/c1-6(2)7(3)14-8(15)9(4-5-9)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15)
InChIKeyKPYBHHGEVMFHPT-UHFFFAOYSA-N
XLogP2.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 76610384) is N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)C(C)NC(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is KPYBHHGEVMFHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c1-6(2)7(3)14-8(15)9(4-5-9)10(11,12)13/h6-7H,4-5H2,1-3H3,(H,14,15).
What are the key properties of N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 223.24 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 76610384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).