2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol

C9H6F7NO — CID 11265869

IUPAC2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H6F7NO/c10-6-3-4(17)1-2-5(6)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2
InChIKeyTUKCEJVHCXWTCH-UHFFFAOYSA-N
MW277.14 g/mol
LogP2.72
Rot. Bonds1

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

2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 11265869) has the molecular formula C9H6F7NO and a molecular weight of 277.14 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID11265869
Molecular FormulaC9H6F7NO
Molecular Weight277.14 g/mol
Exact Mass277.03
IUPAC Name2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1
InChIInChI=1S/C9H6F7NO/c10-6-3-4(17)1-2-5(6)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2
InChIKeyTUKCEJVHCXWTCH-UHFFFAOYSA-N
XLogP2.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.14
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 11265869) is 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)c(F)c1.
What is the InChIKey of 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is TUKCEJVHCXWTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F7NO/c10-6-3-4(17)1-2-5(6)7(18,8(11,12)13)9(14,15)16/h1-3,18H,17H2.
What are the key properties of 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 277.14 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 11265869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).