3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine

C7H6FNS — CID 18915607

IUPAC3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1csc(F)c1
InChIInChI=1S/C7H6FNS/c8-7-4-6(5-10-7)2-1-3-9/h4-5H,3,9H2
InChIKeyCVHPHIVIXJJTJJ-UHFFFAOYSA-N
MW155.20 g/mol
LogP1.20
Rot. Bonds

About 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine

3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine (PubChem CID 18915607) has the molecular formula C7H6FNS and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine.

Molecular Properties

Compound Name3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine
PubChem CID18915607
Molecular FormulaC7H6FNS
Molecular Weight155.20 g/mol
Exact Mass155.02
IUPAC Name3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine
SMILESNCC#Cc1csc(F)c1
InChIInChI=1S/C7H6FNS/c8-7-4-6(5-10-7)2-1-3-9/h4-5H,3,9H2
InChIKeyCVHPHIVIXJJTJJ-UHFFFAOYSA-N
XLogP1.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.20
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

3-[5-[(2,6-difluorophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 81268719
4-(3-aminoprop-1-ynyl)-2-[[methyl(sulfamoyl)amino]methyl]thiophene
CID 114959540
3-(3-fluoro-4-methoxyphenyl)prop-2-yn-1-amine
CID 60799775
3-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 79850307
3-[5-(1,3-oxazol-2-ylsulfanylmethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 106924395
3-[5-[(4-fluoro-2-nitrophenoxy)methyl]thiophen-3-yl]prop-2-yn-1-amine
CID 62368707
4-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl-methylamino]benzonitrile
CID 62981036
3-(2,6-dimethyl-4-pyridinyl)prop-2-yn-1-amine
CID 130507657
3-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-1,1-diethylurea
CID 79161491
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-N-methyl-2-methylsulfanylacetamide
CID 54984752
3-[5-(3-azaspiro[5.5]undecan-3-ylmethyl)thiophen-3-yl]prop-2-yn-1-amine
CID 62930755
N-[[4-(3-aminoprop-1-ynyl)thiophen-2-yl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66475803

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine?
The IUPAC name of 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine (CID 18915607) is 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine.
What is the SMILES notation for 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine?
The canonical SMILES for 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine is NCC#Cc1csc(F)c1.
What is the InChIKey of 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine?
The InChIKey is CVHPHIVIXJJTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FNS/c8-7-4-6(5-10-7)2-1-3-9/h4-5H,3,9H2.
What are the key properties of 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine?
3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine has a molecular weight of 155.20 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluorothiophen-3-yl)prop-2-yn-1-amine is sourced from PubChem (CID 18915607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).