2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol

C10H8BrF3O2 — CID 142618067

IUPAC2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(OC(F)(F)F)cc2CC1Br
InChIInChI=1S/C10H8BrF3O2/c11-8-4-5-3-6(16-10(12,13)14)1-2-7(5)9(8)15/h1-3,8-9,15H,4H2
InChIKeyRVVRITUFUQOUKR-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.94
Rot. Bonds1

About 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol

2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol (PubChem CID 142618067) has the molecular formula C10H8BrF3O2 and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
PubChem CID142618067
Molecular FormulaC10H8BrF3O2
Molecular Weight297.07 g/mol
Exact Mass295.97
IUPAC Name2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
SMILESOC1c2ccc(OC(F)(F)F)cc2CC1Br
InChIInChI=1S/C10H8BrF3O2/c11-8-4-5-3-6(16-10(12,13)14)1-2-7(5)9(8)15/h1-3,8-9,15H,4H2
InChIKeyRVVRITUFUQOUKR-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-Methoxy-9-(trifluoromethyl)fluoren-9-ol
CID 59492487
(1R)-6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 28293920
(1S)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 131030238
(1R)-6-(difluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 131165605
5-Methoxy-2,3-dihydro-1h-inden-1-ol
CID 255233
6-methoxy-2,3-dihydro-1H-inden-1-ol
CID 12374669
2-Methyl-4-(trifluoromethoxy)benzyl alcohol
CID 2775557
1,2-Benzenedimethanol, 4-methoxy-alpha1-(trifluoromethyl)-
CID 17873156
5-methoxy-1-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
CID 18677646
4-Methoxy-2-(trifluoromethyl)benzyl alcohol
CID 46737573
6-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol
CID 54595949
[2-(Hydroxymethyl)-4-(trifluoromethoxy)phenyl]methanol
CID 57753387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol (CID 142618067) is 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol is OC1c2ccc(OC(F)(F)F)cc2CC1Br.
What is the InChIKey of 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
The InChIKey is RVVRITUFUQOUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3O2/c11-8-4-5-3-6(16-10(12,13)14)1-2-7(5)9(8)15/h1-3,8-9,15H,4H2.
What are the key properties of 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol?
2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol has a molecular weight of 297.07 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(trifluoromethoxy)-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 142618067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).