1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol

C11H9F6NO2 — CID 87742929

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol
SMILESCO/N=C/c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F6NO2/c1-20-18-6-7-2-4-8(5-3-7)9(19,10(12,13)14)11(15,16)17/h2-6,19H,1H3/b18-6+
InChIKeyNCVFTBLEKLCNHL-NGYBGAFCSA-N
MW301.19 g/mol
LogP2.98
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol (PubChem CID 87742929) has the molecular formula C11H9F6NO2 and a molecular weight of 301.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol
PubChem CID87742929
Molecular FormulaC11H9F6NO2
Molecular Weight301.19 g/mol
Exact Mass301.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol
SMILESCO/N=C/c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C11H9F6NO2/c1-20-18-6-7-2-4-8(5-3-7)9(19,10(12,13)14)11(15,16)17/h2-6,19H,1H3/b18-6+
InChIKeyNCVFTBLEKLCNHL-NGYBGAFCSA-N
XLogP2.98
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol (CID 87742929) is 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol is CO/N=C/c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol?
The InChIKey is NCVFTBLEKLCNHL-NGYBGAFCSA-N. The full InChI is InChI=1S/C11H9F6NO2/c1-20-18-6-7-2-4-8(5-3-7)9(19,10(12,13)14)11(15,16)17/h2-6,19H,1H3/b18-6+.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol has a molecular weight of 301.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[4-[(E)-methoxyiminomethyl]phenyl]propan-2-ol is sourced from PubChem (CID 87742929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).