1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide

C9H10F3NO — CID 175983566

IUPAC1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide
SMILESCC1(C(N)=O)CC(C#CC(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-8(7(13)14)4-6(5-8)2-3-9(10,11)12/h6H,4-5H2,1H3,(H2,13,14)
InChIKeyYUVSDMGOWHLXFM-UHFFFAOYSA-N
MW205.18 g/mol
LogP1.45
Rot. Bonds1

About 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide

1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide (PubChem CID 175983566) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide
PubChem CID175983566
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide
SMILESCC1(C(N)=O)CC(C#CC(F)(F)F)C1
InChIInChI=1S/C9H10F3NO/c1-8(7(13)14)4-6(5-8)2-3-9(10,11)12/h6H,4-5H2,1H3,(H2,13,14)
InChIKeyYUVSDMGOWHLXFM-UHFFFAOYSA-N
XLogP1.45
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[2-oxo-4-(3,3,3-trifluoroprop-1-ynyl)pyrrolidin-1-yl]butanamide
CID 66725925
3,3,3-trifluoroprop-1-ynylcyclohexane
CID 91536674
2-deuterio-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175992393
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide
CID 90907861
5-methyl-1-(trifluoromethyl)-2-oxabicyclo[3.2.0]heptane-3-carboxamide
CID 175998228
2,2-dimethylbicyclo[1.1.1]pentane-1-carboxamide
CID 140831837
cis-(1R,3S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 13041627
2-(3,4-difluorophenyl)-4,5-dimethyl-5-(trifluoromethyl)oxolane-2-carboxamide
CID 175938566
1-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 86703553
methyl 3-cyano-1-methylcyclobutane-1-carboxylate
CID 173252740
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 57494678

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide?
The IUPAC name of 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide (CID 175983566) is 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide is CC1(C(N)=O)CC(C#CC(F)(F)F)C1.
What is the InChIKey of 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide?
The InChIKey is YUVSDMGOWHLXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-8(7(13)14)4-6(5-8)2-3-9(10,11)12/h6H,4-5H2,1H3,(H2,13,14).
What are the key properties of 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide?
1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide has a molecular weight of 205.18 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3,3,3-trifluoroprop-1-ynyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 175983566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).