8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

C15H16FNOS — CID 43776487

IUPAC8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCc1ccco1
InChIInChI=1S/C15H16FNOS/c16-13-5-1-4-12-14(7-10-19-15(12)13)17-8-6-11-3-2-9-18-11/h1-5,9,14,17H,6-8,10H2
InChIKeyQFTTTZRDZJMUBR-UHFFFAOYSA-N
MW277.36 g/mol
LogP3.79
Rot. Bonds4

About 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine

8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (PubChem CID 43776487) has the molecular formula C15H16FNOS and a molecular weight of 277.36 g/mol. Its IUPAC name is 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.

Molecular Properties

Compound Name8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
PubChem CID43776487
Molecular FormulaC15H16FNOS
Molecular Weight277.36 g/mol
Exact Mass277.09
IUPAC Name8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine
SMILESFc1cccc2c1SCCC2NCCc1ccco1
InChIInChI=1S/C15H16FNOS/c16-13-5-1-4-12-14(7-10-19-15(12)13)17-8-6-11-3-2-9-18-11/h1-5,9,14,17H,6-8,10H2
InChIKeyQFTTTZRDZJMUBR-UHFFFAOYSA-N
XLogP3.79
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The IUPAC name of 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine (CID 43776487) is 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine.
What is the SMILES notation for 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The canonical SMILES for 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is Fc1cccc2c1SCCC2NCCc1ccco1.
What is the InChIKey of 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
The InChIKey is QFTTTZRDZJMUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNOS/c16-13-5-1-4-12-14(7-10-19-15(12)13)17-8-6-11-3-2-9-18-11/h1-5,9,14,17H,6-8,10H2.
What are the key properties of 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine?
8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine has a molecular weight of 277.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-[2-(furan-2-yl)ethyl]-3,4-dihydro-2H-thiochromen-4-amine is sourced from PubChem (CID 43776487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).