N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C10H12ClF6NO — CID 103311094

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CCCl)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12ClF6NO/c11-4-3-8(1-2-8)5-18-7(19)6(9(12,13)14)10(15,16)17/h6H,1-5H2,(H,18,19)
InChIKeyKAHGASPYKAVMCC-UHFFFAOYSA-N
MW311.65 g/mol
LogP3.25
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 103311094) has the molecular formula C10H12ClF6NO and a molecular weight of 311.65 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID103311094
Molecular FormulaC10H12ClF6NO
Molecular Weight311.65 g/mol
Exact Mass311.05
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESO=C(NCC1(CCCl)CC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H12ClF6NO/c11-4-3-8(1-2-8)5-18-7(19)6(9(12,13)14)10(15,16)17/h6H,1-5H2,(H,18,19)
InChIKeyKAHGASPYKAVMCC-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.65
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide 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-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 103311094) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is O=C(NCC1(CCCl)CC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is KAHGASPYKAVMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF6NO/c11-4-3-8(1-2-8)5-18-7(19)6(9(12,13)14)10(15,16)17/h6H,1-5H2,(H,18,19).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 311.65 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 103311094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).