1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine

C9H12FNS — CID 130594674

IUPAC1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1sccc1F
InChIInChI=1S/C9H12FNS/c1-6(2)8(11-3)9-7(10)4-5-12-9/h4-5,8,11H,1H2,2-3H3
InChIKeyJZOKLMDXIQPTHU-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.72
Rot. Bonds3

About 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine

1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine (PubChem CID 130594674) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
PubChem CID130594674
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
SMILESC=C(C)C(NC)c1sccc1F
InChIInChI=1S/C9H12FNS/c1-6(2)8(11-3)9-7(10)4-5-12-9/h4-5,8,11H,1H2,2-3H3
InChIKeyJZOKLMDXIQPTHU-UHFFFAOYSA-N
XLogP2.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,2-dimethyl-1-(2,3,4-trifluorophenyl)prop-2-en-1-amine
CID 105005495
1-(2,3-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005147
1-(4-fluoro-3-methylphenyl)-N,2-dimethylprop-2-en-1-amine
CID 79189960
1-cyclobutyl-1-(3-fluorothiophen-2-yl)-N-methylmethanamine
CID 130594687
1-(4-chloro-3-fluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 107994087
1-(4-bromo-2,6-difluorophenyl)-N,2-dimethylprop-2-en-1-amine
CID 105005497
1-(5-chlorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine
CID 105005210
(1S)-1-(3-fluorothiophen-2-yl)propan-1-amine
CID 130691935
(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
CID 130706324
1-(3-chlorothiophen-2-yl)-2-methylprop-2-en-1-ol
CID 115817404
1-(4-tert-butylthiadiazol-5-yl)-N,2-dimethylprop-2-en-1-amine
CID 105163765
1-(6-methoxypyridazin-3-yl)-N,2-dimethylprop-2-en-1-amine
CID 103374177

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The IUPAC name of 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine (CID 130594674) is 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine.
What is the SMILES notation for 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The canonical SMILES for 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine is C=C(C)C(NC)c1sccc1F.
What is the InChIKey of 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
The InChIKey is JZOKLMDXIQPTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-6(2)8(11-3)9-7(10)4-5-12-9/h4-5,8,11H,1H2,2-3H3.
What are the key properties of 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine?
1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine has a molecular weight of 185.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorothiophen-2-yl)-N,2-dimethylprop-2-en-1-amine is sourced from PubChem (CID 130594674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).