5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

C10H10F3NO — CID 80562806

IUPAC5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)4-3-6-5-7(14)1-2-8(6)9/h1-2,5,15H,3-4,14H2
InChIKeyXGHBORORZSUUGV-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.96
Rot. Bonds

About 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol

5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (PubChem CID 80562806) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
PubChem CID80562806
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C(F)(F)F
InChIInChI=1S/C10H10F3NO/c11-10(12,13)9(15)4-3-6-5-7(14)1-2-8(6)9/h1-2,5,15H,3-4,14H2
InChIKeyXGHBORORZSUUGV-UHFFFAOYSA-N
XLogP1.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 577801
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CID 9543261
2-amino-9H-fluoren-9-ol
CID 36461
2-(4-Aminophenyl)-9-(trifluoromethyl)fluoren-9-ol
CID 59492723
2-(Methylamino)-9-(trifluoromethyl)fluoren-9-ol
CID 59492514
N-[9-hydroxy-9-(trifluoromethyl)fluoren-3-yl]acetamide
CID 59492556
2-Anilino-9-(trifluoromethyl)fluoren-9-ol
CID 59493113
4-Amino-9-(trifluoromethyl)fluoren-9-ol
CID 59493214
6-Amino-2,3-dihydro-3,3-dimethyl-1H-inden-1-ol
CID 18399977
5-amino-2,3-dihydro-1H-inden-2-ol
CID 21555031
2-(4-Amino-3-fluorophenyl)propan-2-ol
CID 70331607
4-(Methylamino)-9-(trifluoromethyl)fluoren-9-ol
CID 59492482

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol (CID 80562806) is 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)C(F)(F)F.
What is the InChIKey of 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
The InChIKey is XGHBORORZSUUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c11-10(12,13)9(15)4-3-6-5-7(14)1-2-8(6)9/h1-2,5,15H,3-4,14H2.
What are the key properties of 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol?
5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol has a molecular weight of 217.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(trifluoromethyl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).