(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine

C10H19F2NO — CID 118390757

IUPAC(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@H](C)O[C@@H](C(C)(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-8(3)14-9(6-13)10(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyXJGVBAHSAWIZCQ-DTWKUNHWSA-N
MW207.26 g/mol
LogP2.14
Rot. Bonds2

About (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine

(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine (PubChem CID 118390757) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
PubChem CID118390757
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine
SMILESCC(C)N1C[C@H](C)O[C@@H](C(C)(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-7(2)13-5-8(3)14-9(6-13)10(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyXJGVBAHSAWIZCQ-DTWKUNHWSA-N
XLogP2.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
CID 95332225
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
2-Propan-2-yl-4-(3,3,3-trifluoropropyl)morpholine
CID 58468999
4-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]morpholine
CID 59012974
1-[2-(1,1,1,3,3-Pentafluoropropan-2-yloxy)ethyl]piperidine
CID 59012991
1-[2-(1,1,1-Trifluoro-3-methylbutan-2-yl)oxyethyl]piperidine
CID 59203952
N-butyl-N-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]butan-1-amine
CID 59203956
1-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 59204085
4-Tert-butyl-2-(trifluoromethyl)morpholine
CID 59539545
2-Methyl-4-(trifluoromethyl)morpholine
CID 68099689

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine?
The IUPAC name of (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine (CID 118390757) is (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine.
What is the SMILES notation for (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine?
The canonical SMILES for (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine is CC(C)N1C[C@H](C)O[C@@H](C(C)(F)F)C1.
What is the InChIKey of (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine?
The InChIKey is XJGVBAHSAWIZCQ-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(2)13-5-8(3)14-9(6-13)10(4,11)12/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine?
(2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine has a molecular weight of 207.26 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-(1,1-difluoroethyl)-6-methyl-4-propan-2-ylmorpholine is sourced from PubChem (CID 118390757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).