2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol

C11H6F11NO — CID 154087588

IUPAC2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESNc1cc(C(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O
InChIInChI=1S/C11H6F11NO/c12-8(13,11(20,21)22)4-1-3(2-5(23)6(4)24)7(9(14,15)16)10(17,18)19/h1-2,7,24H,23H2
InChIKeyWVGNVMUIZMUTMS-UHFFFAOYSA-N
MW377.15 g/mol
LogP4.84
Rot. Bonds2

About 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol

2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol (PubChem CID 154087588) has the molecular formula C11H6F11NO and a molecular weight of 377.15 g/mol. Its IUPAC name is 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol.

Molecular Properties

Compound Name2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol
PubChem CID154087588
Molecular FormulaC11H6F11NO
Molecular Weight377.15 g/mol
Exact Mass377.03
IUPAC Name2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol
SMILESNc1cc(C(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O
InChIInChI=1S/C11H6F11NO/c12-8(13,11(20,21)22)4-1-3(2-5(23)6(4)24)7(9(14,15)16)10(17,18)19/h1-2,7,24H,23H2
InChIKeyWVGNVMUIZMUTMS-UHFFFAOYSA-N
XLogP4.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.15
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The IUPAC name of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol (CID 154087588) is 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol.
What is the SMILES notation for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The canonical SMILES for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol is Nc1cc(C(C(F)(F)F)C(F)(F)F)cc(C(F)(F)C(F)(F)F)c1O.
What is the InChIKey of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol?
The InChIKey is WVGNVMUIZMUTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F11NO/c12-8(13,11(20,21)22)4-1-3(2-5(23)6(4)24)7(9(14,15)16)10(17,18)19/h1-2,7,24H,23H2.
What are the key properties of 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol?
2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol has a molecular weight of 377.15 g/mol, XLogP of 4.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(1,1,1,3,3,3-hexafluoropropan-2-yl)-6-(1,1,2,2,2-pentafluoroethyl)phenol is sourced from PubChem (CID 154087588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).