(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol

C10H11ClFNOS — CID 157023108

IUPAC(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
SMILESNC1(CO)CCSc2c1ccc(Cl)c2F
InChIInChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2
InChIKeyWQXHBYKKHRSTKV-UHFFFAOYSA-N
MW247.72 g/mol
LogP2.12
Rot. Bonds1

About (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol

(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol (PubChem CID 157023108) has the molecular formula C10H11ClFNOS and a molecular weight of 247.72 g/mol. Its IUPAC name is (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
PubChem CID157023108
Molecular FormulaC10H11ClFNOS
Molecular Weight247.72 g/mol
Exact Mass247.02
IUPAC Name(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
SMILESNC1(CO)CCSc2c1ccc(Cl)c2F
InChIInChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2
InChIKeyWQXHBYKKHRSTKV-UHFFFAOYSA-N
XLogP2.12
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The IUPAC name of (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol (CID 157023108) is (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol.
What is the SMILES notation for (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The canonical SMILES for (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol is NC1(CO)CCSc2c1ccc(Cl)c2F.
What is the InChIKey of (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The InChIKey is WQXHBYKKHRSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNOS/c11-7-2-1-6-9(8(7)12)15-4-3-10(6,13)5-14/h1-2,14H,3-5,13H2.
What are the key properties of (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
(4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol has a molecular weight of 247.72 g/mol, XLogP of 2.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol is sourced from PubChem (CID 157023108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).