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

C13H9F6NO — CID 1336446

IUPAC2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,21H,20H2
InChIKeyDPKKBYLZGCNYGO-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.73
Rot. Bonds1

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

2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 1336446) has the molecular formula C13H9F6NO and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID1336446
Molecular FormulaC13H9F6NO
Molecular Weight309.21 g/mol
Exact Mass309.06
IUPAC Name2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,21H,20H2
InChIKeyDPKKBYLZGCNYGO-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

2-(2-Amino-5-methyl-phenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol
CID 320085
2-(1-Aminonaphthalen-2-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 772871
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
(3-Aminonaphthalen-2-yl)methanol
CID 10374898
(4-Aminonaphthalen-1-yl)methanol
CID 118807838
(3-Aminonaphthalen-2-yl)-diphenylmethanol
CID 10041997
2-Amino-9-(trifluoromethyl)fluoren-9-ol
CID 59492717
2-(3-Aminophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 13320609
2-(4-Amino-2,5-dimethylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543596
Tetramethyl-4,4'-diaminobenzhydrol
CID 54428719
(10-Aminophenanthren-9-yl)methanol
CID 123159194
2-(2-Amino-5-tert-butylphenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 340177

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 1336446) is 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc2ccccc2c1C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is DPKKBYLZGCNYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F6NO/c14-12(15,16)11(21,13(17,18)19)10-8-4-2-1-3-7(8)5-6-9(10)20/h1-6,21H,20H2.
What are the key properties of 2-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(2-aminonaphthalen-1-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-(2-aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 1336446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).