5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline

C10H9F6NO3 — CID 171932597

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline
SMILESCOc1ccc(C(C(F)(F)F)C(F)(F)F)cc1N(O)O
InChIInChI=1S/C10H9F6NO3/c1-20-7-3-2-5(4-6(7)17(18)19)8(9(11,12)13)10(14,15)16/h2-4,8,18-19H,1H3
InChIKeyVYOOSOXABIDYCW-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.49
Rot. Bonds3

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline (PubChem CID 171932597) has the molecular formula C10H9F6NO3 and a molecular weight of 305.17 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline
PubChem CID171932597
Molecular FormulaC10H9F6NO3
Molecular Weight305.17 g/mol
Exact Mass305.05
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline
SMILESCOc1ccc(C(C(F)(F)F)C(F)(F)F)cc1N(O)O
InChIInChI=1S/C10H9F6NO3/c1-20-7-3-2-5(4-6(7)17(18)19)8(9(11,12)13)10(14,15)16/h2-4,8,18-19H,1H3
InChIKeyVYOOSOXABIDYCW-UHFFFAOYSA-N
XLogP3.49
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline (CID 171932597) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline is COc1ccc(C(C(F)(F)F)C(F)(F)F)cc1N(O)O.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline?
The InChIKey is VYOOSOXABIDYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO3/c1-20-7-3-2-5(4-6(7)17(18)19)8(9(11,12)13)10(14,15)16/h2-4,8,18-19H,1H3.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline has a molecular weight of 305.17 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-N,N-dihydroxy-2-methoxyaniline is sourced from PubChem (CID 171932597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).