2-(difluoromethyl)-4-propan-2-ylmorpholine

C8H15F2NO — CID 126990184

IUPAC2-(difluoromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-4-12-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyYQJUXCOHMQIPFL-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds2

About 2-(difluoromethyl)-4-propan-2-ylmorpholine

2-(difluoromethyl)-4-propan-2-ylmorpholine (PubChem CID 126990184) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-propan-2-ylmorpholine
PubChem CID126990184
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name2-(difluoromethyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(C(F)F)C1
InChIInChI=1S/C8H15F2NO/c1-6(2)11-3-4-12-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3
InChIKeyYQJUXCOHMQIPFL-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,2-Difluoropropyl)morpholine
CID 91007241
N,N-dimethyl-1-[(2S)-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-2-yl]methanamine
CID 95332225
4-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)-2,6-dimethylmorpholine
CID 18725573
2-Fluoro-4-(1,1,2,2,3,3-hexafluoro-3-methoxypropyl)-6-methylmorpholine
CID 23550516
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-Ethyl-4-(2,2,2-trifluoroethyl)morpholin-4-ium
CID 57680073
4,4-Difluoro-3-methoxy-1-propan-2-ylpiperidine
CID 58110410
4-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]morpholine
CID 59012974
4-[2-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)ethyl]morpholine
CID 59013014
1-[2-(1,1,1-Trifluoropropan-2-yloxy)ethyl]piperidine
CID 59204085
4-Tert-butyl-2-(trifluoromethyl)morpholine
CID 59539545

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(difluoromethyl)-4-propan-2-ylmorpholine (CID 126990184) is 2-(difluoromethyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(difluoromethyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(difluoromethyl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-4-propan-2-ylmorpholine?
The InChIKey is YQJUXCOHMQIPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(2)11-3-4-12-7(5-11)8(9)10/h6-8H,3-5H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-propan-2-ylmorpholine?
2-(difluoromethyl)-4-propan-2-ylmorpholine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 126990184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).