2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H7F6NO — CID 13320609

IUPAC2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-2-1-3-6(16)4-5/h1-4,17H,16H2
InChIKeyLLDYYDVBNYAQJM-UHFFFAOYSA-N
MW259.15 g/mol
LogP2.58
Rot. Bonds1

About 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 13320609) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID13320609
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-2-1-3-6(16)4-5/h1-4,17H,16H2
InChIKeyLLDYYDVBNYAQJM-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 52.58
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

2-(4-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 577801
1-(3-Aminophenyl)ethanol
CID 222461
2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
3-Aminobenzyl alcohol
CID 80293
2-(4-Aminophenyl)propan-2-ol
CID 9543261
(3-Aminophenyl)(phenyl)methanol
CID 292403
Benzenemethanol, 3-amino-alpha-methyl-5-(trifluoromethyl)-
CID 206072
(1R)-1-(3-aminophenyl)ethan-1-ol
CID 643191
2-(2-Aminophenyl)propan-2-ol
CID 253527
3-(2-Aminophenyl)pentan-3-ol
CID 10607441
1,1,1,3,3,3-Hexafluoro-2-(3-nitrophenyl)propan-2-ol
CID 279582
(5-Amino-2-fluorophenyl)methanol
CID 2737680

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 13320609) is 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LLDYYDVBNYAQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-8(11,12)7(17,9(13,14)15)5-2-1-3-6(16)4-5/h1-4,17H,16H2.
What are the key properties of 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 259.15 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 13320609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).