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

C14H11F6NO — CID 54257427

IUPAC2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc2c1N
InChIInChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(22,13(15,16)17)14(18,19)20/h2-6,22H,21H2,1H3
InChIKeyRBBNKFBXTJBLJZ-UHFFFAOYSA-N
MW323.24 g/mol
LogP4.04
Rot. Bonds1

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

2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 54257427) has the molecular formula C14H11F6NO and a molecular weight of 323.24 g/mol. Its IUPAC name is 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID54257427
Molecular FormulaC14H11F6NO
Molecular Weight323.24 g/mol
Exact Mass323.07
IUPAC Name2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc2c1N
InChIInChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(22,13(15,16)17)14(18,19)20/h2-6,22H,21H2,1H3
InChIKeyRBBNKFBXTJBLJZ-UHFFFAOYSA-N
XLogP4.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 54257427) is 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Cc1cc(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc2c1N.
What is the InChIKey of 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is RBBNKFBXTJBLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F6NO/c1-7-6-10(8-4-2-3-5-9(8)11(7)21)12(22,13(15,16)17)14(18,19)20/h2-6,22H,21H2,1H3.
What are the key properties of 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 323.24 g/mol, XLogP of 4.04, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylnaphthalen-1-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 54257427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).