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

C20H19F6NO2 — CID 46829251

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F6NO2/c21-19(22,23)18(28,20(24,25)26)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-27-9-11-29-12-10-27/h1-8,28H,9-13H2
InChIKeyFRSWEKDSANHVIN-UHFFFAOYSA-N
MW419.37 g/mol
LogP4.50
Rot. Bonds4

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

1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol (PubChem CID 46829251) has the molecular formula C20H19F6NO2 and a molecular weight of 419.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol
PubChem CID46829251
Molecular FormulaC20H19F6NO2
Molecular Weight419.37 g/mol
Exact Mass419.13
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol
SMILESOC(c1ccc(-c2ccc(CN3CCOCC3)cc2)cc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C20H19F6NO2/c21-19(22,23)18(28,20(24,25)26)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-27-9-11-29-12-10-27/h1-8,28H,9-13H2
InChIKeyFRSWEKDSANHVIN-UHFFFAOYSA-N
XLogP4.50
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.37
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-ylmethyl)phenyl]phenyl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol (CID 46829251) is 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol is OC(c1ccc(-c2ccc(CN3CCOCC3)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-ylmethyl)phenyl]phenyl]propan-2-ol?
The InChIKey is FRSWEKDSANHVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F6NO2/c21-19(22,23)18(28,20(24,25)26)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-27-9-11-29-12-10-27/h1-8,28H,9-13H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-[4-(morpholin-4-ylmethyl)phenyl]phenyl]propan-2-ol has a molecular weight of 419.37 g/mol, XLogP of 4.50, 4 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-ylmethyl)phenyl]phenyl]propan-2-ol is sourced from PubChem (CID 46829251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).