2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C13H9F6NO — CID 772871

IUPAC2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-6,21H,20H2
InChIKeyLBOTVCGVALXEGK-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.73
Rot. Bonds1

About 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol

2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 772871) has the molecular formula C13H9F6NO and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID772871
Molecular FormulaC13H9F6NO
Molecular Weight309.21 g/mol
Exact Mass309.06
IUPAC Name2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12
InChIInChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-6,21H,20H2
InChIKeyLBOTVCGVALXEGK-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.73
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

A-151892
CID 4397986
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-butyramide
CID 10022595
3-Methyl-but-2-enoic acid [2-(2,2,2-trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-amide
CID 10318275
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-propionamide
CID 10451456
(E)-N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-1-yl]but-2-enamide
CID 10068147
2-{1-Amino-4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]-2-naphthyl}-1,1,1,3,3,3-hexafluoro-2-propanol
CID 4395364
N-[2-(2,2,2-Trifluoro-1-hydroxy-1-trifluoromethyl-ethyl)-naphthalen-1-yl]-isobutyramide
CID 10452297
(3-Aminonaphthalen-2-yl)methanol
CID 10374898
(3-Aminonaphthalen-2-yl)-diphenylmethanol
CID 10041997
2-(4-Amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543596
(10-Aminophenanthren-9-yl)methanol
CID 123159194
2-(b-Hydroxyethyl)naphthylamine
CID 129793314

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 772871) is 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12.
What is the InChIKey of 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is LBOTVCGVALXEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)9-6-5-7-3-1-2-4-8(7)10(9)20/h1-6,21H,20H2.
What are the key properties of 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 309.21 g/mol, XLogP of 3.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 772871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).