(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide

C11H19F3N2O2 — CID 167135206

IUPAC(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCOC[C@H]1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-7(2)8(3)15-10(17)16-4-5-18-6-9(16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,15,17)/t8-,9+/m1/s1
InChIKeyVNSPRHAZYKNBKV-BDAKNGLRSA-N
MW268.28 g/mol
LogP2.00
Rot. Bonds2

About (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide

(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide (PubChem CID 167135206) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
PubChem CID167135206
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)N1CCOC[C@H]1C(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-7(2)8(3)15-10(17)16-4-5-18-6-9(16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,15,17)/t8-,9+/m1/s1
InChIKeyVNSPRHAZYKNBKV-BDAKNGLRSA-N
XLogP2.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide?
The IUPAC name of (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide (CID 167135206) is (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide is CC(C)[C@@H](C)NC(=O)N1CCOC[C@H]1C(F)(F)F.
What is the InChIKey of (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide?
The InChIKey is VNSPRHAZYKNBKV-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(2)8(3)15-10(17)16-4-5-18-6-9(16)11(12,13)14/h7-9H,4-6H2,1-3H3,(H,15,17)/t8-,9+/m1/s1.
What are the key properties of (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide?
(3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)morpholine-4-carboxamide is sourced from PubChem (CID 167135206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).