[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate

C14H16ClF3N2O3 — CID 142726077

IUPAC[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CN1CCO[C@H](c2cccc(Cl)c2)C1)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c15-10-3-1-2-9(6-10)11-7-20(4-5-22-11)8-12(14(16,17)18)23-13(19)21/h1-3,6,11-12H,4-5,7-8H2,(H2,19,21)/t11-,12-/m0/s1
InChIKeyCVWVTXSSAVRPBH-RYUDHWBXSA-N
MW352.74 g/mol
LogP2.74
Rot. Bonds4

About [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate

[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate (PubChem CID 142726077) has the molecular formula C14H16ClF3N2O3 and a molecular weight of 352.74 g/mol. Its IUPAC name is [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate.

Molecular Properties

Compound Name[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
PubChem CID142726077
Molecular FormulaC14H16ClF3N2O3
Molecular Weight352.74 g/mol
Exact Mass352.08
IUPAC Name[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate
SMILESNC(=O)O[C@@H](CN1CCO[C@H](c2cccc(Cl)c2)C1)C(F)(F)F
InChIInChI=1S/C14H16ClF3N2O3/c15-10-3-1-2-9(6-10)11-7-20(4-5-22-11)8-12(14(16,17)18)23-13(19)21/h1-3,6,11-12H,4-5,7-8H2,(H2,19,21)/t11-,12-/m0/s1
InChIKeyCVWVTXSSAVRPBH-RYUDHWBXSA-N
XLogP2.74
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.74
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1,1,1-trifluoro-3-[2-(3-fluorophenyl)morpholin-4-yl]propan-2-yl] N-(4-chlorophenyl)carbamate
CID 123137258
[1,1,1-trifluoro-3-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propan-2-yl] N-(4-chloro-3-fluorophenyl)carbamate
CID 123444103
(2R)-2-(3,4-difluorophenyl)-4-[(2S)-2-[(2S)-3-[(2R)-2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl]oxy-3,3,3-trifluoropropyl]morpholine
CID 142767961
[3-[2-(3,4-difluorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] N-(4-chloro-3-fluorophenyl)carbamate
CID 123166052
methyl 2-[4-[2-[2-(3-chlorophenyl)morpholin-4-yl]ethyl]phenyl]acetate;hydrochloride
CID 70381407
2-(3-chlorophenyl)-4-(thiophen-2-ylmethyl)morpholine
CID 68619203
N-[4-[(2R)-3-[2-(3-chlorophenyl)morpholin-4-yl]-2-hydroxypropoxy]phenyl]-N-methylmethanesulfonamide
CID 164906477
2-(3-chlorophenyl)-4-(piperidin-4-ylmethyl)morpholine;hydrochloride
CID 120849357
1-[2-(3-chlorophenyl)morpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 110326972
methyl 2-[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]acetate
CID 71981585
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
1-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 124618430

Frequently Asked Questions

What is the IUPAC name of [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate?
The IUPAC name of [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate (CID 142726077) is [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate.
What is the SMILES notation for [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate?
The canonical SMILES for [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate is NC(=O)O[C@@H](CN1CCO[C@H](c2cccc(Cl)c2)C1)C(F)(F)F.
What is the InChIKey of [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate?
The InChIKey is CVWVTXSSAVRPBH-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H16ClF3N2O3/c15-10-3-1-2-9(6-10)11-7-20(4-5-22-11)8-12(14(16,17)18)23-13(19)21/h1-3,6,11-12H,4-5,7-8H2,(H2,19,21)/t11-,12-/m0/s1.
What are the key properties of [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate?
[(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate has a molecular weight of 352.74 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-[(2R)-2-(3-chlorophenyl)morpholin-4-yl]-1,1,1-trifluoropropan-2-yl] carbamate is sourced from PubChem (CID 142726077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).