1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol

C14H11F6NO — CID 23333485

IUPAC1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(F)(F)C(O)(F)C(F)(F)F)c2ccccc2c1N
InChIInChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(15,16)13(17,22)14(18,19)20/h2-6,22H,21H2,1H3
InChIKeyHNMDEMFUUUWAAS-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.04
Rot. Bonds2

About 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol

1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol (PubChem CID 23333485) has the molecular formula C14H11F6NO and a molecular weight of 323.24 g/mol. Its IUPAC name is 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol
PubChem CID23333485
Molecular FormulaC14H11F6NO
Molecular Weight323.24 g/mol
Exact Mass323.07
IUPAC Name1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(F)(F)C(O)(F)C(F)(F)F)c2ccccc2c1N
InChIInChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(15,16)13(17,22)14(18,19)20/h2-6,22H,21H2,1H3
InChIKeyHNMDEMFUUUWAAS-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.24
LogP ≤ 54.04
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-(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
2-(b-Hydroxyethyl)naphthylamine
CID 129793314
2-(2-Aminonaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 1336446
4-(1,1,2,2,3,3,4,4,4-Nonafluorobutyl)-2-octan-2-ylnaphthalen-1-amine
CID 20061895
2-Methyl-4-(trifluoromethyl)naphthalen-1-amine
CID 20061914
4-(1,1,2,2,2-Pentafluoroethyl)-2-propan-2-ylnaphthalen-1-amine
CID 20061919
2-Ethyl-4-(1,1,2,2,3,3,3-heptafluoropropyl)naphthalen-1-amine
CID 20061959
2-Ethyl-4-(trifluoromethyl)naphthalen-1-amine
CID 20061976
2-Propan-2-yl-4-(trifluoromethyl)naphthalen-1-amine
CID 20062023
2-Methyl-4-(1,1,2,2,2-pentafluoroethyl)naphthalen-1-amine
CID 20062041
1-(1-Amino-5,6,7,8-tetrahydronaphthalen-2-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol
CID 20325669

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol (CID 23333485) is 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(F)(F)C(O)(F)C(F)(F)F)c2ccccc2c1N.
What is the InChIKey of 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol?
The InChIKey is HNMDEMFUUUWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(15,16)13(17,22)14(18,19)20/h2-6,22H,21H2,1H3.
What are the key properties of 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol?
1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol has a molecular weight of 323.24 g/mol, XLogP of 4.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylnaphthalen-1-yl)-1,1,2,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 23333485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).