2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide

C11H16FNO — CID 131197882

IUPAC2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide
SMILESC#CC(C)(CC)NC(=O)C1(C)CC1F
InChIInChI=1S/C11H16FNO/c1-5-10(3,6-2)13-9(14)11(4)7-8(11)12/h1,8H,6-7H2,2-4H3,(H,13,14)
InChIKeyWCLSQEYDLDDESX-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.65
Rot. Bonds3

About 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide

2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide (PubChem CID 131197882) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide
PubChem CID131197882
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide
SMILESC#CC(C)(CC)NC(=O)C1(C)CC1F
InChIInChI=1S/C11H16FNO/c1-5-10(3,6-2)13-9(14)11(4)7-8(11)12/h1,8H,6-7H2,2-4H3,(H,13,14)
InChIKeyWCLSQEYDLDDESX-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 71032896
N-[1-(difluoromethyl)cyclopropyl]-2,2-dimethylbutanamide
CID 156291166
N-(2-methylbut-3-yn-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166548190
N-(4-amino-2-methylbut-3-yn-2-yl)-1-(1,1-difluoroethyl)cyclopropane-1-carboxamide
CID 166548194
1-(1,1-difluoroethyl)-N-(2,5-dimethylhex-3-yn-2-yl)cyclopropane-1-carboxamide
CID 166548312
N-(2,5-dimethylhex-3-yn-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166548350
N-(1-ethynylcyclopropyl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 166549183
1-(1,1-difluoroethyl)-N-(2-methylhex-3-yn-2-yl)cyclopropane-1-carboxamide
CID 167267892
N-(2-methylhex-3-yn-2-yl)-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167268874
N-[1-(fluoromethyl)cyclopropyl]-3-methylbutanamide
CID 176873388
4,4,4-trifluoro-N-(2-methylbut-3-yn-2-yl)butanamide
CID 65713016
N-(2-fluoro-1,2-dimethylcyclopropyl)-2,2-dimethylpropanamide
CID 161806788

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide (CID 131197882) is 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide is C#CC(C)(CC)NC(=O)C1(C)CC1F.
What is the InChIKey of 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide?
The InChIKey is WCLSQEYDLDDESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-5-10(3,6-2)13-9(14)11(4)7-8(11)12/h1,8H,6-7H2,2-4H3,(H,13,14).
What are the key properties of 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide?
2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide has a molecular weight of 197.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methyl-N-(3-methylpent-1-yn-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 131197882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).