(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine

C7H8FNS — CID 131076071

IUPAC(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cscc1F
InChIInChI=1S/C7H8FNS/c1-2-7(9)5-3-10-4-6(5)8/h2-4,7H,1,9H2/t7-/m1/s1
InChIKeyBCQLXIMLAVZHGE-SSDOTTSWSA-N
MW157.21 g/mol
LogP2.07
Rot. Bonds2

About (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine

(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine (PubChem CID 131076071) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine
PubChem CID131076071
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine
SMILESC=C[C@@H](N)c1cscc1F
InChIInChI=1S/C7H8FNS/c1-2-7(9)5-3-10-4-6(5)8/h2-4,7H,1,9H2/t7-/m1/s1
InChIKeyBCQLXIMLAVZHGE-SSDOTTSWSA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine?
The IUPAC name of (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine (CID 131076071) is (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine?
The canonical SMILES for (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine is C=C[C@@H](N)c1cscc1F.
What is the InChIKey of (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine?
The InChIKey is BCQLXIMLAVZHGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H8FNS/c1-2-7(9)5-3-10-4-6(5)8/h2-4,7H,1,9H2/t7-/m1/s1.
What are the key properties of (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine?
(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 131076071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).