N-but-2-ynyl-3-fluorothiophene-2-carboxamide

C9H8FNOS — CID 131047851

IUPACN-but-2-ynyl-3-fluorothiophene-2-carboxamide
SMILESCC#CCNC(=O)c1sccc1F
InChIInChI=1S/C9H8FNOS/c1-2-3-5-11-9(12)8-7(10)4-6-13-8/h4,6H,5H2,1H3,(H,11,12)
InChIKeyOCXXINLQEUJDLO-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.64
Rot. Bonds2

About N-but-2-ynyl-3-fluorothiophene-2-carboxamide

N-but-2-ynyl-3-fluorothiophene-2-carboxamide (PubChem CID 131047851) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is N-but-2-ynyl-3-fluorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-but-2-ynyl-3-fluorothiophene-2-carboxamide
PubChem CID131047851
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC NameN-but-2-ynyl-3-fluorothiophene-2-carboxamide
SMILESCC#CCNC(=O)c1sccc1F
InChIInChI=1S/C9H8FNOS/c1-2-3-5-11-9(12)8-7(10)4-6-13-8/h4,6H,5H2,1H3,(H,11,12)
InChIKeyOCXXINLQEUJDLO-UHFFFAOYSA-N
XLogP1.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-but-2-ynyl-4-fluorobenzamide
CID 115866848
1-(3-fluorothiophen-2-yl)butane-1,3-dione
CID 174590149
N-but-2-ynyl-2-fluoro-4-methoxybenzamide
CID 103868606
ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-fluorothiophene-2-carboxamide
CID 130594260
3-fluoro-N-(2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 154857590
3-methyl-N-prop-2-ynylthiophene-2-carboxamide
CID 39911816
1-(3-fluorothiophen-2-yl)-2,3-dimethylbutan-1-one
CID 130642481
N-but-2-ynyl-2,6-dichlorobenzamide
CID 143542112
N-but-2-ynyl-2-iodobenzamide
CID 115866883
1-(3-chlorothiophen-2-yl)pent-3-yn-1-one
CID 114964884
(1-ethylpyrazol-4-yl)-(3-fluorothiophen-2-yl)methanone
CID 130594522

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-3-fluorothiophene-2-carboxamide?
The IUPAC name of N-but-2-ynyl-3-fluorothiophene-2-carboxamide (CID 131047851) is N-but-2-ynyl-3-fluorothiophene-2-carboxamide.
What is the SMILES notation for N-but-2-ynyl-3-fluorothiophene-2-carboxamide?
The canonical SMILES for N-but-2-ynyl-3-fluorothiophene-2-carboxamide is CC#CCNC(=O)c1sccc1F.
What is the InChIKey of N-but-2-ynyl-3-fluorothiophene-2-carboxamide?
The InChIKey is OCXXINLQEUJDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-2-3-5-11-9(12)8-7(10)4-6-13-8/h4,6H,5H2,1H3,(H,11,12).
What are the key properties of N-but-2-ynyl-3-fluorothiophene-2-carboxamide?
N-but-2-ynyl-3-fluorothiophene-2-carboxamide has a molecular weight of 197.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-3-fluorothiophene-2-carboxamide is sourced from PubChem (CID 131047851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).