(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine

C18H15F6NO — CID 159915568

IUPAC(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@]1(c2ccccc2)COC[C@@](c2ccccc2)(C(F)(F)F)N1
InChIInChI=1S/C18H15F6NO/c19-17(20,21)15(13-7-3-1-4-8-13)11-26-12-16(25-15,18(22,23)24)14-9-5-2-6-10-14/h1-10,25H,11-12H2/t15-,16-/m1/s1
InChIKeyNXSVCRIDXHLAME-HZPDHXFCSA-N
MW375.31 g/mol
LogP4.52
Rot. Bonds2

About (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine

(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine (PubChem CID 159915568) has the molecular formula C18H15F6NO and a molecular weight of 375.31 g/mol. Its IUPAC name is (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine.

Molecular Properties

Compound Name(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine
PubChem CID159915568
Molecular FormulaC18H15F6NO
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine
SMILESFC(F)(F)[C@]1(c2ccccc2)COC[C@@](c2ccccc2)(C(F)(F)F)N1
InChIInChI=1S/C18H15F6NO/c19-17(20,21)15(13-7-3-1-4-8-13)11-26-12-16(25-15,18(22,23)24)14-9-5-2-6-10-14/h1-10,25H,11-12H2/t15-,16-/m1/s1
InChIKeyNXSVCRIDXHLAME-HZPDHXFCSA-N
XLogP4.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 53256980
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2,2-difluoro-3-phenyl-3-(trifluoromethyl)oxirane
CID 14874563
(2R)-2-phenyl-2-(trifluoromethyl)morpholine
CID 95240865
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CID 84717126
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CID 101271353
5-phenyl-5-(trifluoromethyl)tetrazole
CID 69382702
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CID 89496923

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine?
The IUPAC name of (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine (CID 159915568) is (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine.
What is the SMILES notation for (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine?
The canonical SMILES for (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine is FC(F)(F)[C@]1(c2ccccc2)COC[C@@](c2ccccc2)(C(F)(F)F)N1.
What is the InChIKey of (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine?
The InChIKey is NXSVCRIDXHLAME-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H15F6NO/c19-17(20,21)15(13-7-3-1-4-8-13)11-26-12-16(25-15,18(22,23)24)14-9-5-2-6-10-14/h1-10,25H,11-12H2/t15-,16-/m1/s1.
What are the key properties of (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine?
(3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine has a molecular weight of 375.31 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-diphenyl-3,5-bis(trifluoromethyl)morpholine is sourced from PubChem (CID 159915568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).