(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol

C10H11FOS — CID 19982160

IUPAC(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
SMILESOCC1CSc2ccc(F)cc2C1
InChIInChI=1S/C10H11FOS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6H2
InChIKeyVFGJKMAGFKSIAV-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.08
Rot. Bonds1

About (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol

(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol (PubChem CID 19982160) has the molecular formula C10H11FOS and a molecular weight of 198.26 g/mol. Its IUPAC name is (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol.

Molecular Properties

Compound Name(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
PubChem CID19982160
Molecular FormulaC10H11FOS
Molecular Weight198.26 g/mol
Exact Mass198.05
IUPAC Name(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol
SMILESOCC1CSc2ccc(F)cc2C1
InChIInChI=1S/C10H11FOS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6H2
InChIKeyVFGJKMAGFKSIAV-UHFFFAOYSA-N
XLogP2.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol?
The IUPAC name of (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol (CID 19982160) is (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol.
What is the SMILES notation for (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol?
The canonical SMILES for (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol is OCC1CSc2ccc(F)cc2C1.
What is the InChIKey of (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol?
The InChIKey is VFGJKMAGFKSIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FOS/c11-9-1-2-10-8(4-9)3-7(5-12)6-13-10/h1-2,4,7,12H,3,5-6H2.
What are the key properties of (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol?
(6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol has a molecular weight of 198.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-3,4-dihydro-2H-thiochromen-3-yl)methanol is sourced from PubChem (CID 19982160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).