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

C10H12FNOS — CID 83909832

IUPAC(4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
SMILESNC1(CO)CCSc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2
InChIKeyCWOKOQMWZDTXRK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.47
Rot. Bonds1

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

(4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol (PubChem CID 83909832) has the molecular formula C10H12FNOS and a molecular weight of 213.28 g/mol. Its IUPAC name is (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol.

Molecular Properties

Compound Name(4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
PubChem CID83909832
Molecular FormulaC10H12FNOS
Molecular Weight213.28 g/mol
Exact Mass213.06
IUPAC Name(4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
SMILESNC1(CO)CCSc2c(F)cccc21
InChIInChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2
InChIKeyCWOKOQMWZDTXRK-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-Amino-8-fluoro-2,3-dihydrothiochromene-4-carboxylic acid
CID 83911303
2-Amino-2-(4-ethylsulfanyl-2-fluorophenyl)ethanol
CID 130293539
(R)-(4-Amino-8-fluorothiochroman-4-yl)methanol
CID 131378251
(S)-(4-Amino-8-fluorothiochroman-4-yl)methanol
CID 131551381
(4-Amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol
CID 157023108
(4-Amino-8-fluoro-1,3-dihydroisothiochromen-4-yl)methanol
CID 166499588
[(4R)-4-amino-7-chloro-8-fluoro-2,3-dihydrothiochromen-4-yl]methanol
CID 175818077
[4-(2,2,2-Trifluoroethylamino)-2,3-dihydrothiochromen-4-yl]methanol
CID 61046755
2-Amino-3-(4-fluorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64805343
2-Amino-3-(2-fluorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64806575
2-Amino-3-(2,5-difluorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64807663
2-Amino-3-(3,4-difluorophenyl)sulfanyl-2-phenylpropan-1-ol
CID 64821719

Frequently Asked Questions

What is the IUPAC name of (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The IUPAC name of (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol (CID 83909832) is (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol.
What is the SMILES notation for (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The canonical SMILES for (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol is NC1(CO)CCSc2c(F)cccc21.
What is the InChIKey of (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
The InChIKey is CWOKOQMWZDTXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNOS/c11-8-3-1-2-7-9(8)14-5-4-10(7,12)6-13/h1-3,13H,4-6,12H2.
What are the key properties of (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol?
(4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol has a molecular weight of 213.28 g/mol, XLogP of 1.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-8-fluoro-2,3-dihydrothiochromen-4-yl)methanol is sourced from PubChem (CID 83909832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).