3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

C9H14F3NO — CID 176873148

IUPAC3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRAPCRPCKNYOLCJ-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.24
Rot. Bonds3

About 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide

3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (PubChem CID 176873148) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
PubChem CID176873148
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide
SMILESCC(C)CC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14)
InChIKeyRAPCRPCKNYOLCJ-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclopropanecarboxylic acid tert-butylamide
CID 528619
N-tert-Butyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3089667
N-(1-tert-butylcyclopropyl)-4,4,4-trifluorobutanamide
CID 131913724
N-tert-butyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 616724
N-tert-butyl-4,4,4-trifluorobutanamide
CID 14324576
N-(2,3-dimethylbutan-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580311
N-(1,1,1-trifluoro-2-methylpropan-2-yl)butanamide
CID 57872138
N-tert-butyl-3,3-difluorobutanamide
CID 58207456
2,2-difluoro-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 58395131
2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)acetamide
CID 58664910
2-methyl-N-(1,1,1-trifluoro-2-methylpropan-2-yl)propanamide
CID 59272632
(2R)-N-tert-butyl-2-fluorocyclopropane-1-carboxamide
CID 59409511

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The IUPAC name of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide (CID 176873148) is 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide.
What is the SMILES notation for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The canonical SMILES for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is CC(C)CC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
The InChIKey is RAPCRPCKNYOLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-6(2)5-7(14)13-8(3-4-8)9(10,11)12/h6H,3-5H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide?
3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide has a molecular weight of 209.21 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(trifluoromethyl)cyclopropyl]butanamide is sourced from PubChem (CID 176873148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).