1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol

C19H17F6NO2 — CID 46173579

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)17(27,19(23,24)25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)26-9-11-28-12-10-26/h1-8,27H,9-12H2
InChIKeyIGTRDPWLBZZFFA-UHFFFAOYSA-N
MW405.34 g/mol
LogP4.50
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol (PubChem CID 46173579) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
PubChem CID46173579
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C19H17F6NO2/c20-18(21,22)17(27,19(23,24)25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)26-9-11-28-12-10-26/h1-8,27H,9-12H2
InChIKeyIGTRDPWLBZZFFA-UHFFFAOYSA-N
XLogP4.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol (CID 46173579) is 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol is OC(c1ccc(-c2ccc(N3CCOCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol?
The InChIKey is IGTRDPWLBZZFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6NO2/c20-18(21,22)17(27,19(23,24)25)15-5-1-13(2-6-15)14-3-7-16(8-4-14)26-9-11-28-12-10-26/h1-8,27H,9-12H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol has a molecular weight of 405.34 g/mol, XLogP of 4.50, 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-(4-morpholin-4-ylphenyl)phenyl]propan-2-ol is sourced from PubChem (CID 46173579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).