[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

C17H22F3NO3 — CID 100857610

IUPAC[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1
InChIInChI=1S/C17H22F3NO3/c1-11-5-6-15(24-11)14-10-23-8-7-21(14)16(22)12-3-2-4-13(9-12)17(18,19)20/h5-6,12-14H,2-4,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyDXWAOUDEYFORSB-MJBXVCDLSA-N
MW345.36 g/mol
LogP3.86
Rot. Bonds2

About [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone

[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (PubChem CID 100857610) has the molecular formula C17H22F3NO3 and a molecular weight of 345.36 g/mol. Its IUPAC name is [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
PubChem CID100857610
Molecular FormulaC17H22F3NO3
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone
SMILESCc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1
InChIInChI=1S/C17H22F3NO3/c1-11-5-6-15(24-11)14-10-23-8-7-21(14)16(22)12-3-2-4-13(9-12)17(18,19)20/h5-6,12-14H,2-4,7-10H2,1H3/t12-,13+,14-/m0/s1
InChIKeyDXWAOUDEYFORSB-MJBXVCDLSA-N
XLogP3.86
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The IUPAC name of [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone (CID 100857610) is [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone.
What is the SMILES notation for [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The canonical SMILES for [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is Cc1ccc([C@@H]2COCCN2C(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)o1.
What is the InChIKey of [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
The InChIKey is DXWAOUDEYFORSB-MJBXVCDLSA-N. The full InChI is InChI=1S/C17H22F3NO3/c1-11-5-6-15(24-11)14-10-23-8-7-21(14)16(22)12-3-2-4-13(9-12)17(18,19)20/h5-6,12-14H,2-4,7-10H2,1H3/t12-,13+,14-/m0/s1.
What are the key properties of [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone?
[(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone has a molecular weight of 345.36 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methylfuran-2-yl)morpholin-4-yl]-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]methanone is sourced from PubChem (CID 100857610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).