2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol

C9H9F4NO — CID 155595120

IUPAC2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)F)C(F)F)cc1
InChIInChI=1S/C9H9F4NO/c10-7(11)9(15,8(12)13)5-1-3-6(14)4-2-5/h1-4,7-8,15H,14H2
InChIKeyHNXSUOOXGYTUBB-UHFFFAOYSA-N
MW223.17 g/mol
LogP1.99
Rot. Bonds3

About 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol

2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol (PubChem CID 155595120) has the molecular formula C9H9F4NO and a molecular weight of 223.17 g/mol. Its IUPAC name is 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol.

Molecular Properties

Compound Name2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol
PubChem CID155595120
Molecular FormulaC9H9F4NO
Molecular Weight223.17 g/mol
Exact Mass223.06
IUPAC Name2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol
SMILESNc1ccc(C(O)(C(F)F)C(F)F)cc1
InChIInChI=1S/C9H9F4NO/c10-7(11)9(15,8(12)13)5-1-3-6(14)4-2-5/h1-4,7-8,15H,14H2
InChIKeyHNXSUOOXGYTUBB-UHFFFAOYSA-N
XLogP1.99
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 51.99
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-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol?
The IUPAC name of 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol (CID 155595120) is 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol.
What is the SMILES notation for 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol?
The canonical SMILES for 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol is Nc1ccc(C(O)(C(F)F)C(F)F)cc1.
What is the InChIKey of 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol?
The InChIKey is HNXSUOOXGYTUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO/c10-7(11)9(15,8(12)13)5-1-3-6(14)4-2-5/h1-4,7-8,15H,14H2.
What are the key properties of 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol?
2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol has a molecular weight of 223.17 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-1,1,3,3-tetrafluoropropan-2-ol is sourced from PubChem (CID 155595120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).