(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C11H11F3O — CID 67814250

IUPAC(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc(C(F)(F)F)c2c1[C@@H](O)CC2
InChIInChI=1S/C11H11F3O/c1-6-2-4-8(11(12,13)14)7-3-5-9(15)10(6)7/h2,4,9,15H,3,5H2,1H3/t9-/m0/s1
InChIKeyWTTSHUTYXBNHJJ-VIFPVBQESA-N
MW216.20 g/mol
LogP2.99
Rot. Bonds

About (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 67814250) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID67814250
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESCc1ccc(C(F)(F)F)c2c1[C@@H](O)CC2
InChIInChI=1S/C11H11F3O/c1-6-2-4-8(11(12,13)14)7-3-5-9(15)10(6)7/h2,4,9,15H,3,5H2,1H3/t9-/m0/s1
InChIKeyWTTSHUTYXBNHJJ-VIFPVBQESA-N
XLogP2.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 67814250) is (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is Cc1ccc(C(F)(F)F)c2c1[C@@H](O)CC2.
What is the InChIKey of (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is WTTSHUTYXBNHJJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11F3O/c1-6-2-4-8(11(12,13)14)7-3-5-9(15)10(6)7/h2,4,9,15H,3,5H2,1H3/t9-/m0/s1.
What are the key properties of (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 216.20 g/mol, XLogP of 2.99, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-7-methyl-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 67814250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).