3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine

C8H12FNS — CID 153328287

IUPAC3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1sccc1F
InChIInChI=1S/C8H12FNS/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,10H,2-3,5H2,1H3
InChIKeyHPVIVCQPHAFLNH-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.04
Rot. Bonds4

About 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine

3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine (PubChem CID 153328287) has the molecular formula C8H12FNS and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine
PubChem CID153328287
Molecular FormulaC8H12FNS
Molecular Weight173.26 g/mol
Exact Mass173.07
IUPAC Name3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine
SMILESCNCCCc1sccc1F
InChIInChI=1S/C8H12FNS/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,10H,2-3,5H2,1H3
InChIKeyHPVIVCQPHAFLNH-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine (CID 153328287) is 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine is CNCCCc1sccc1F.
What is the InChIKey of 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine?
The InChIKey is HPVIVCQPHAFLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNS/c1-10-5-2-3-8-7(9)4-6-11-8/h4,6,10H,2-3,5H2,1H3.
What are the key properties of 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine?
3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine has a molecular weight of 173.26 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorothiophen-2-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 153328287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).