(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

C10H10F2O3S — CID 122506311

IUPAC(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(CF)c1ccc(F)c2c1[C@H](O)CC2
InChIInChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2/t8-/m1/s1
InChIKeyIQCLLLMSBOEQCY-MRVPVSSYSA-N
MW248.25 g/mol
LogP1.51
Rot. Bonds2

About (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol

(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 122506311) has the molecular formula C10H10F2O3S and a molecular weight of 248.25 g/mol. Its IUPAC name is (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID122506311
Molecular FormulaC10H10F2O3S
Molecular Weight248.25 g/mol
Exact Mass248.03
IUPAC Name(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol
SMILESO=S(=O)(CF)c1ccc(F)c2c1[C@H](O)CC2
InChIInChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2/t8-/m1/s1
InChIKeyIQCLLLMSBOEQCY-MRVPVSSYSA-N
XLogP1.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493010
(4-(Methylsulfonyl)-2-(trifluoromethyl)phenyl)methanol
CID 66936507
[2-(1-Fluoroethenyl)-3-methylsulfonylphenyl]methanol
CID 68235159
[3-Methylsulfonyl-2-(trifluoromethyl)phenyl]methanol
CID 71174903
1-(3-Fluoro-5-methylsulfonylphenyl)ethanol
CID 84683544
4-fluoro-3-(hydroxymethyl)-7-methylsulfanyl-2,3-dihydro-1H-inden-1-ol
CID 117942197
(1S)-4-fluoro-3-(hydroxymethyl)-7-methylsulfanyl-2,3-dihydro-1H-inden-1-ol
CID 117942199
N-[(7-fluoro-3-hydroxy-2,3-dihydro-1H-inden-4-yl)-oxo-(trifluoromethyl)-lambda6-sulfanylidene]acetamide
CID 117942302
7-(difluoromethylsulfonyl)-4-fluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
CID 117942366
2,2,7-Trifluoro-4-methylsulfanyl-1,3-dihydroinden-1-ol
CID 117942480
(1S)-4-benzylsulfanyl-2,2,7-trifluoro-1,3-dihydroinden-1-ol
CID 117942512
4-fluoro-7-methylsulfanyl-2,3-dihydro-1H-inden-1-ol
CID 117942537

Frequently Asked Questions

What is the IUPAC name of (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol (CID 122506311) is (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is O=S(=O)(CF)c1ccc(F)c2c1[C@H](O)CC2.
What is the InChIKey of (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is IQCLLLMSBOEQCY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10F2O3S/c11-5-16(14,15)9-4-2-7(12)6-1-3-8(13)10(6)9/h2,4,8,13H,1,3,5H2/t8-/m1/s1.
What are the key properties of (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol?
(1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 248.25 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-fluoro-7-(fluoromethylsulfonyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 122506311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).