(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol

C10H7F5O3S — CID 122506324

IUPAC(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol
SMILESO=S(=O)(c1ccc(F)c2c1[C@H](O)C(F)(F)C2)C(F)F
InChIInChI=1S/C10H7F5O3S/c11-5-1-2-6(19(17,18)9(12)13)7-4(5)3-10(14,15)8(7)16/h1-2,8-9,16H,3H2/t8-/m0/s1
InChIKeyMCOKRQDWASVZGB-QMMMGPOBSA-N
MW302.22 g/mol
LogP2.05
Rot. Bonds2

About (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol

(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol (PubChem CID 122506324) has the molecular formula C10H7F5O3S and a molecular weight of 302.22 g/mol. Its IUPAC name is (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol
PubChem CID122506324
Molecular FormulaC10H7F5O3S
Molecular Weight302.22 g/mol
Exact Mass302.00
IUPAC Name(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol
SMILESO=S(=O)(c1ccc(F)c2c1[C@H](O)C(F)(F)C2)C(F)F
InChIInChI=1S/C10H7F5O3S/c11-5-1-2-6(19(17,18)9(12)13)7-4(5)3-10(14,15)8(7)16/h1-2,8-9,16H,3H2/t8-/m0/s1
InChIKeyMCOKRQDWASVZGB-QMMMGPOBSA-N
XLogP2.05
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.22
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methylsulfonyl-9-(trifluoromethyl)fluoren-9-ol
CID 59493010
[2-(1-Fluoroethenyl)-3-methylsulfonylphenyl]methanol
CID 68235159
[3-Methylsulfonyl-2-(trifluoromethyl)phenyl]methanol
CID 71174903
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
7-(difluoromethylsulfonyl)-4-fluoro-2,3-dihydro-1H-inden-1-ol
CID 117942543
[7-(difluoromethylsulfonyl)-4-fluoro-2,3-dihydro-1H-inden-1-yl]methanol
CID 117942648

Frequently Asked Questions

What is the IUPAC name of (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol?
The IUPAC name of (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol (CID 122506324) is (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol.
What is the SMILES notation for (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol?
The canonical SMILES for (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol is O=S(=O)(c1ccc(F)c2c1[C@H](O)C(F)(F)C2)C(F)F.
What is the InChIKey of (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol?
The InChIKey is MCOKRQDWASVZGB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H7F5O3S/c11-5-1-2-6(19(17,18)9(12)13)7-4(5)3-10(14,15)8(7)16/h1-2,8-9,16H,3H2/t8-/m0/s1.
What are the key properties of (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol?
(1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol has a molecular weight of 302.22 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-(difluoromethylsulfonyl)-2,2,4-trifluoro-1,3-dihydroinden-1-ol is sourced from PubChem (CID 122506324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).