N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

C9H12F3NO — CID 135393417

IUPACN-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C9H12F3NO/c1-6(14)13-5-7-2-8(3-7,4-7)9(10,11)12/h2-5H2,1H3,(H,13,14)
InChIKeyQJFYAXYLMKDMJO-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.86
Rot. Bonds2

About N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide

N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (PubChem CID 135393417) has the molecular formula C9H12F3NO and a molecular weight of 207.19 g/mol. Its IUPAC name is N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
PubChem CID135393417
Molecular FormulaC9H12F3NO
Molecular Weight207.19 g/mol
Exact Mass207.09
IUPAC NameN-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide
SMILESCC(=O)NCC12CC(C(F)(F)F)(C1)C2
InChIInChI=1S/C9H12F3NO/c1-6(14)13-5-7-2-8(3-7,4-7)9(10,11)12/h2-5H2,1H3,(H,13,14)
InChIKeyQJFYAXYLMKDMJO-UHFFFAOYSA-N
XLogP1.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
N-(2,2-difluoro-3,3-dimethylbutyl)acetamide
CID 58044587
N-(3,3-dimethylbutyl)-2,2,2-trifluoroacetamide
CID 58090057
N-(2,2-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 115190375
1-methyl-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 118361886
N-({bicyclo[1.1.1]pentan-1-yl}methyl)-2,2,2-trifluoroacetamide
CID 118941200
N-({3-tert-butylbicyclo[1.1.1]pentan-1-yl}methyl)-2,2,2-trifluoroacetamide
CID 118941243
N-[(3,3-difluorocyclobutyl)methyl]propanamide
CID 127004881
N-[(3,3-difluorocyclobutyl)methyl]acetamide
CID 128496607
N-[(3,3-difluorocyclobutyl)methyl]-2-methylpropanamide
CID 131046412
N-(4,4-dimethylpentyl)-2,2,2-trifluoroacetamide
CID 131064783
N-methyl-N-{[3-(trifluoromethyl)bicyclo[1.1.1]pentan-1-yl]methyl}acetamide
CID 135392159

Frequently Asked Questions

What is the IUPAC name of N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The IUPAC name of N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide (CID 135393417) is N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide.
What is the SMILES notation for N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The canonical SMILES for N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is CC(=O)NCC12CC(C(F)(F)F)(C1)C2.
What is the InChIKey of N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
The InChIKey is QJFYAXYLMKDMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO/c1-6(14)13-5-7-2-8(3-7,4-7)9(10,11)12/h2-5H2,1H3,(H,13,14).
What are the key properties of N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide?
N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide has a molecular weight of 207.19 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]acetamide is sourced from PubChem (CID 135393417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).