anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

C20H16F3NO2 — CID 95539252

IUPACanthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-12-24(9-10-26-17)19(25)18-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)18/h1-8,11,17H,9-10,12H2/t17-/m0/s1
InChIKeyPJOGTDOWIBXEOJ-KRWDZBQOSA-N
MW359.35 g/mol
LogP4.40
Rot. Bonds1

About anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone

anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 95539252) has the molecular formula C20H16F3NO2 and a molecular weight of 359.35 g/mol. Its IUPAC name is anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Nameanthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID95539252
Molecular FormulaC20H16F3NO2
Molecular Weight359.35 g/mol
Exact Mass359.11
IUPAC Nameanthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESO=C(c1c2ccccc2cc2ccccc12)N1CCO[C@H](C(F)(F)F)C1
InChIInChI=1S/C20H16F3NO2/c21-20(22,23)17-12-24(9-10-26-17)19(25)18-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)18/h1-8,11,17H,9-10,12H2/t17-/m0/s1
InChIKeyPJOGTDOWIBXEOJ-KRWDZBQOSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(8-hydroxyquinolin-7-yl)-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95555898
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95468822
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
2-(benzylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 95426731
6-(trifluoromethyl)-3-[2-(trifluoromethyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 56862466
(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802
1,6-dimethyl-3-[(2R)-2-(trifluoromethyl)morpholine-4-carbonyl]quinolin-4-one
CID 95548927
[3-(1H-pyrazol-4-yl)phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95549395
[1-(benzenesulfonyl)cyclopropyl]-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95554847
2-(benzylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone;hydrochloride
CID 154892255

Frequently Asked Questions

What is the IUPAC name of anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone (CID 95539252) is anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is O=C(c1c2ccccc2cc2ccccc12)N1CCO[C@H](C(F)(F)F)C1.
What is the InChIKey of anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is PJOGTDOWIBXEOJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H16F3NO2/c21-20(22,23)17-12-24(9-10-26-17)19(25)18-15-7-3-1-5-13(15)11-14-6-2-4-8-16(14)18/h1-8,11,17H,9-10,12H2/t17-/m0/s1.
What are the key properties of anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone?
anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 359.35 g/mol, XLogP of 4.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracen-9-yl-[(2S)-2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 95539252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).