2,2-difluoro-4-propan-2-ylmorpholine;ethane

C9H19F2NO — CID 145111849

IUPAC2,2-difluoro-4-propan-2-ylmorpholine;ethane
SMILESCC.CC(C)N1CCOC(F)(F)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(2)10-3-4-11-7(8,9)5-10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyVYNRDQWVZBBOGY-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.35
Rot. Bonds1

About 2,2-difluoro-4-propan-2-ylmorpholine;ethane

2,2-difluoro-4-propan-2-ylmorpholine;ethane (PubChem CID 145111849) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 2,2-difluoro-4-propan-2-ylmorpholine;ethane.

Molecular Properties

Compound Name2,2-difluoro-4-propan-2-ylmorpholine;ethane
PubChem CID145111849
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name2,2-difluoro-4-propan-2-ylmorpholine;ethane
SMILESCC.CC(C)N1CCOC(F)(F)C1
InChIInChI=1S/C7H13F2NO.C2H6/c1-6(2)10-3-4-11-7(8,9)5-10;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyVYNRDQWVZBBOGY-UHFFFAOYSA-N
XLogP2.35
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
CID 101731127
4-Sec-butylmorpholine
CID 110911
4-(2,2-Difluoropropyl)morpholine
CID 91007241
2,2,6-Trifluoro-4-methylmorpholine
CID 338517
Morpholine, 4-(1-methylpropyl)-, hydrobromide (1:1)
CID 110910
4-[Difluoro(methoxy)methyl]morpholine
CID 18721521
4-(2-Ethoxy-1,1,2,2-tetrafluoroethyl)morpholine
CID 18725577
2,2,6,6-Tetrafluoro-4-propan-2-ylmorpholine
CID 21732465
2,2,3,3,5,5,6,6-Octafluoro-4-propan-2-ylmorpholine
CID 22172824
2,6-Dimethyl-4-(1,1,2,2,3-pentafluoropropyl)morpholine;fluoromethane
CID 54007115
4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)morpholine
CID 54297752
N-(2-ethoxyethyl)-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 57680045

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-4-propan-2-ylmorpholine;ethane?
The IUPAC name of 2,2-difluoro-4-propan-2-ylmorpholine;ethane (CID 145111849) is 2,2-difluoro-4-propan-2-ylmorpholine;ethane.
What is the SMILES notation for 2,2-difluoro-4-propan-2-ylmorpholine;ethane?
The canonical SMILES for 2,2-difluoro-4-propan-2-ylmorpholine;ethane is CC.CC(C)N1CCOC(F)(F)C1.
What is the InChIKey of 2,2-difluoro-4-propan-2-ylmorpholine;ethane?
The InChIKey is VYNRDQWVZBBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-6(2)10-3-4-11-7(8,9)5-10;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 2,2-difluoro-4-propan-2-ylmorpholine;ethane?
2,2-difluoro-4-propan-2-ylmorpholine;ethane has a molecular weight of 195.25 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-4-propan-2-ylmorpholine;ethane is sourced from PubChem (CID 145111849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).