8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

C14H18FNOS — CID 43232886

IUPAC8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCC1CCCO1
InChIInChI=1S/C14H18FNOS/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1,4-5,10,13,16H,2-3,6-9H2
InChIKeyWZVHRTYEVZWSGT-UHFFFAOYSA-N
MW267.37 g/mol
LogP3.13
Rot. Bonds3

About 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43232886) has the molecular formula C14H18FNOS and a molecular weight of 267.37 g/mol. Its IUPAC name is 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43232886
Molecular FormulaC14H18FNOS
Molecular Weight267.37 g/mol
Exact Mass267.11
IUPAC Name8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCC1CCCO1
InChIInChI=1S/C14H18FNOS/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1,4-5,10,13,16H,2-3,6-9H2
InChIKeyWZVHRTYEVZWSGT-UHFFFAOYSA-N
XLogP3.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-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 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine (CID 43232886) is 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCC1CCCO1.
What is the InChIKey of 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is WZVHRTYEVZWSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNOS/c15-12-5-1-4-11-13(6-8-18-14(11)12)16-9-10-3-2-7-17-10/h1,4-5,10,13,16H,2-3,6-9H2.
What are the key properties of 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 267.37 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43232886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).