N-[3-(trifluoromethyl)cyclobutyl]propanamide

C8H12F3NO — CID 126990118

IUPACN-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCCC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-2-7(13)12-6-3-5(4-6)8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyWCUSAJQPRWYYPO-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.85
Rot. Bonds2

About N-[3-(trifluoromethyl)cyclobutyl]propanamide

N-[3-(trifluoromethyl)cyclobutyl]propanamide (PubChem CID 126990118) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)cyclobutyl]propanamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)cyclobutyl]propanamide
PubChem CID126990118
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC NameN-[3-(trifluoromethyl)cyclobutyl]propanamide
SMILESCCC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C8H12F3NO/c1-2-7(13)12-6-3-5(4-6)8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyWCUSAJQPRWYYPO-UHFFFAOYSA-N
XLogP1.85
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, 2,2,2-trifluoro-N-(1-methylbutyl)-
CID 587691
N-(4-Methylpentyl)-2,2,2-trifluoroacetamide
CID 62727488
N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
CID 87159632
Pentafluoropropanamide, N-3-methylbutyl-
CID 91727024
2,2,2-Trifluoro-N-isopentylacetamide
CID 544344
2,2,2-Trifluoro-N-(2-methylbutyl)acetamide
CID 581466
N-cyclobutyl-2,2,2-trifluoroacetamide
CID 63710496
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
N-(4,4-difluorocyclohexyl)cyclobutanecarboxamide
CID 121021875
(1R)-N-(cyclobutylmethyl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
CID 164636299
N-[(2S)-3,3-difluorobutan-2-yl]-3-oxocyclobutane-1-carboxamide
CID 164638108
2,2,2-trifluoro-N-[(3R)-2-methylpentan-3-yl]acetamide
CID 12119500

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The IUPAC name of N-[3-(trifluoromethyl)cyclobutyl]propanamide (CID 126990118) is N-[3-(trifluoromethyl)cyclobutyl]propanamide.
What is the SMILES notation for N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The canonical SMILES for N-[3-(trifluoromethyl)cyclobutyl]propanamide is CCC(=O)NC1CC(C(F)(F)F)C1.
What is the InChIKey of N-[3-(trifluoromethyl)cyclobutyl]propanamide?
The InChIKey is WCUSAJQPRWYYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-2-7(13)12-6-3-5(4-6)8(9,10)11/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of N-[3-(trifluoromethyl)cyclobutyl]propanamide?
N-[3-(trifluoromethyl)cyclobutyl]propanamide has a molecular weight of 195.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)cyclobutyl]propanamide is sourced from PubChem (CID 126990118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).