N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide

C7H10F3NO — CID 131039188

IUPACN-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c1-5(12)11-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyCCWABDMDHPZEPB-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.47
Rot. Bonds2

About N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide

N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide (PubChem CID 131039188) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
PubChem CID131039188
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC NameN-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide
SMILESCC(=O)NCC1(C(F)(F)F)CC1
InChIInChI=1S/C7H10F3NO/c1-5(12)11-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H,11,12)
InChIKeyCCWABDMDHPZEPB-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-Butyltrifluoroacetamide
CID 283366
2,2,2-Trifluoro-n-propylacetamide
CID 580996
Acetamide, 2,2,2-trifluoro-N-(2-methylpropyl)-
CID 581281
N-(3,3,3-trifluoropropyl)acetamide
CID 59218642
N-butyl-2,2-difluoropropanamide
CID 88580779
2,2,2-Trifluoro-N-isopentylacetamide
CID 544344
2,2,2-Trifluoro-N-(2-methylbutyl)acetamide
CID 581466
N-butyl-3,3,3-trifluoro-2,2-bis(trifluoromethyl)propanamide
CID 4236019
2-fluoro-N-(3-methylbutyl)acetamide
CID 10034764
N-Butyl-2,2-difluoroacetamide
CID 13896436
N-propyl-difluoroacetamide
CID 20155647
2,2-dimethyl-N-(2,2,2-trifluoroethyl)propanamide
CID 20329250

Frequently Asked Questions

What is the IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide?
The IUPAC name of N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide (CID 131039188) is N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide.
What is the SMILES notation for N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide?
The canonical SMILES for N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide is CC(=O)NCC1(C(F)(F)F)CC1.
What is the InChIKey of N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide?
The InChIKey is CCWABDMDHPZEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-5(12)11-4-6(2-3-6)7(8,9)10/h2-4H2,1H3,(H,11,12).
What are the key properties of N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide?
N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide has a molecular weight of 181.16 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(trifluoromethyl)cyclopropyl]methyl]acetamide is sourced from PubChem (CID 131039188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).