(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol

C15H18F4O3S2 — CID 143675348

IUPAC(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol
SMILESCC(C)(C[C@](O)(CS(O)=S)C(F)(F)F)c1cc(F)cc2c1OCC2
InChIInChI=1S/C15H18F4O3S2/c1-13(2,7-14(20,8-24(21)23)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,20H,3-4,7-8H2,1-2H3,(H,21,23)/t14-,24?/m0/s1
InChIKeySZCAUBNDCVVARY-LNYMIDHXSA-N
MW386.43 g/mol
LogP3.27
Rot. Bonds5

About (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol

(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol (PubChem CID 143675348) has the molecular formula C15H18F4O3S2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol
PubChem CID143675348
Molecular FormulaC15H18F4O3S2
Molecular Weight386.43 g/mol
Exact Mass386.06
IUPAC Name(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol
SMILESCC(C)(C[C@](O)(CS(O)=S)C(F)(F)F)c1cc(F)cc2c1OCC2
InChIInChI=1S/C15H18F4O3S2/c1-13(2,7-14(20,8-24(21)23)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,20H,3-4,7-8H2,1-2H3,(H,21,23)/t14-,24?/m0/s1
InChIKeySZCAUBNDCVVARY-LNYMIDHXSA-N
XLogP3.27
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-(methylsulfanylmethyl)pentan-2-ol
CID 160630712
4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2,4-dimethyl-2-(trifluoromethyl)pentan-1-ol
CID 71098804
4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentanoic acid
CID 66726115
1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methanimidoyl-4-methylpentan-2-ol
CID 141149059
2-(aminomethyl)-4-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 141203029
(3S)-5-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-5-methyl-1-quinolin-5-yl-3-(trifluoromethyl)hexan-3-ol
CID 58298394
4-[[4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-hydroxy-4-methyl-2-(trifluoromethyl)pentyl]amino]-1H-quinolin-2-one
CID 172830004
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol;(2S)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylquinolin-5-yl)amino]methyl]pentan-2-ol
CID 157092552
1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-[[(8-fluoro-2-methylquinolin-5-yl)amino]methyl]-4-methylpentan-2-ol
CID 11525858
1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[(2-methylisoquinolin-2-ium-5-yl)amino]methyl]pentan-2-ol
CID 90760202
(2S)-2-[[2-[(Z)-2-aminoprop-1-enyl]-3-ethenylanilino]methyl]-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methylpentan-2-ol
CID 89272452
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-4-methyl-2-[[3-(methylideneamino)-2-[(Z)-prop-1-enyl]anilino]methyl]pentan-2-ol
CID 143725153

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol (CID 143675348) is (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol is CC(C)(C[C@](O)(CS(O)=S)C(F)(F)F)c1cc(F)cc2c1OCC2.
What is the InChIKey of (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol?
The InChIKey is SZCAUBNDCVVARY-LNYMIDHXSA-N. The full InChI is InChI=1S/C15H18F4O3S2/c1-13(2,7-14(20,8-24(21)23)15(17,18)19)11-6-10(16)5-9-3-4-22-12(9)11/h5-6,20H,3-4,7-8H2,1-2H3,(H,21,23)/t14-,24?/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol?
(2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol has a molecular weight of 386.43 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-4-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-(hydroxysulfinothioylmethyl)-4-methylpentan-2-ol is sourced from PubChem (CID 143675348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).