(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

C10H8BrF3O — CID 86700775

IUPAC(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c1ccc(C(F)(F)F)c2Br
InChIInChI=1S/C10H8BrF3O/c11-9-6-2-4-8(15)5(6)1-3-7(9)10(12,13)14/h1,3,8,15H,2,4H2/t8-/m0/s1
InChIKeyJTUIVQVAMRVPQI-QMMMGPOBSA-N
MW281.07 g/mol
LogP3.45
Rot. Bonds

About (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol

(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (PubChem CID 86700775) has the molecular formula C10H8BrF3O and a molecular weight of 281.07 g/mol. Its IUPAC name is (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
PubChem CID86700775
Molecular FormulaC10H8BrF3O
Molecular Weight281.07 g/mol
Exact Mass279.97
IUPAC Name(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
SMILESO[C@H]1CCc2c1ccc(C(F)(F)F)c2Br
InChIInChI=1S/C10H8BrF3O/c11-9-6-2-4-8(15)5(6)1-3-7(9)10(12,13)14/h1,3,8,15H,2,4H2/t8-/m0/s1
InChIKeyJTUIVQVAMRVPQI-QMMMGPOBSA-N
XLogP3.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.07
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-Bromo-1-indanol
CID 13330208
(1S)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414737
(1R)-5-bromo-2,3-dihydro-1H-inden-1-ol
CID 29414734
(1R)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915875
4-Bromo-9-(trifluoromethyl)fluoren-9-ol
CID 59493116
(3-Bromo-2,5-dimethylphenyl)methanol
CID 10656303
5-bromo-2,3-dihydro-1H-inden-1-ol
CID 13486299
(1S)-4-bromo-2,3-dihydro-1H-inden-1-ol
CID 51915874
7-Bromo-2,3-dihydro-1H-inden-1-ol
CID 58306680
(1S)-4-(Trifluoromethyl)indan-1-ol
CID 67058205
(2-Bromo-6-(trifluoromethyl)phenyl)methanol
CID 68281421
(1R)-4-(Trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 71299622

Frequently Asked Questions

What is the IUPAC name of (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol (CID 86700775) is (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is O[C@H]1CCc2c1ccc(C(F)(F)F)c2Br.
What is the InChIKey of (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is JTUIVQVAMRVPQI-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H8BrF3O/c11-9-6-2-4-8(15)5(6)1-3-7(9)10(12,13)14/h1,3,8,15H,2,4H2/t8-/m0/s1.
What are the key properties of (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol?
(1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 281.07 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-bromo-5-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 86700775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).