1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol

C16H19F6NO2 — CID 10133784

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
SMILESCCC/C(=N/OC(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H19F6NO2/c1-4-5-13(23-25-10(2)3)11-6-8-12(9-7-11)14(24,15(17,18)19)16(20,21)22/h6-10,24H,4-5H2,1-3H3/b23-13-
InChIKeyGSCUWFFRQCJZDI-QRVIBDJDSA-N
MW371.32 g/mol
LogP4.93
Rot. Bonds6

About 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol (PubChem CID 10133784) has the molecular formula C16H19F6NO2 and a molecular weight of 371.32 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
PubChem CID10133784
Molecular FormulaC16H19F6NO2
Molecular Weight371.32 g/mol
Exact Mass371.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol
SMILESCCC/C(=N/OC(C)C)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1
InChIInChI=1S/C16H19F6NO2/c1-4-5-13(23-25-10(2)3)11-6-8-12(9-7-11)14(24,15(17,18)19)16(20,21)22/h6-10,24H,4-5H2,1-3H3/b23-13-
InChIKeyGSCUWFFRQCJZDI-QRVIBDJDSA-N
XLogP4.93
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 54.93
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-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol (CID 10133784) is 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol is CCC/C(=N/OC(C)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-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol?
The InChIKey is GSCUWFFRQCJZDI-QRVIBDJDSA-N. The full InChI is InChI=1S/C16H19F6NO2/c1-4-5-13(23-25-10(2)3)11-6-8-12(9-7-11)14(24,15(17,18)19)16(20,21)22/h6-10,24H,4-5H2,1-3H3/b23-13-.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol has a molecular weight of 371.32 g/mol, XLogP of 4.93, 6 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-[(Z)-N-propan-2-yloxy-C-propylcarbonimidoyl]phenyl]propan-2-ol is sourced from PubChem (CID 10133784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).