(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine

C9H16F3NO — CID 170395552

IUPAC(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
SMILESCC(C)N1CCOC[C@@H]1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-6-8(13)5-9(10,11)12/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyUBJWHWKIHBDNGD-QMMMGPOBSA-N
MW211.23 g/mol
LogP2.05
Rot. Bonds2

About (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine

(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine (PubChem CID 170395552) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine.

Molecular Properties

Compound Name(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
PubChem CID170395552
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine
SMILESCC(C)N1CCOC[C@@H]1CC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-6-8(13)5-9(10,11)12/h7-8H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyUBJWHWKIHBDNGD-QMMMGPOBSA-N
XLogP2.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylpropyl)-4-propan-2-ylmorpholine
CID 58279606
3-fluoro-4-propan-2-ylmorpholine
CID 141026156
2-(3-ethylmorpholin-4-yl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570658
8,9-dimethyl-2-propan-2-yl-5-oxa-2-azabicyclo[5.2.0]nonane
CID 159627885
2-(3-ethylmorpholin-4-yl)-N-propan-2-ylpropan-1-amine
CID 62431857
(3R)-3-(2,2-dimethylpropyl)-4-methylmorpholine
CID 168851954
3,3,3-trifluoro-N-[(2R)-2-[(3S)-3-methylmorpholin-4-yl]propyl]propanamide
CID 98799112
2-(ethylamino)-4-(3-ethylmorpholin-4-yl)-2-methylpentan-1-ol
CID 64798768
4-propan-2-yl-2-(2,2,2-trifluoroethyl)morpholine
CID 146614610
3-(3-ethylmorpholin-4-yl)-N,2-dimethylbutan-1-amine
CID 79408287
2-(3-ethylmorpholin-4-yl)-N,3-dimethylbutan-1-amine
CID 62432213
[(3S)-4-methylmorpholin-3-yl]methanamine
CID 66577079

Frequently Asked Questions

What is the IUPAC name of (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine?
The IUPAC name of (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine (CID 170395552) is (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine.
What is the SMILES notation for (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine?
The canonical SMILES for (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine is CC(C)N1CCOC[C@@H]1CC(F)(F)F.
What is the InChIKey of (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine?
The InChIKey is UBJWHWKIHBDNGD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-3-4-14-6-8(13)5-9(10,11)12/h7-8H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine?
(3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine has a molecular weight of 211.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-propan-2-yl-3-(2,2,2-trifluoroethyl)morpholine is sourced from PubChem (CID 170395552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).