4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine

C8H13F2NO — CID 139913677

IUPAC4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine
SMILESCC1CN(CC=C(F)F)CCO1
InChIInChI=1S/C8H13F2NO/c1-7-6-11(4-5-12-7)3-2-8(9)10/h2,7H,3-6H2,1H3
InChIKeyXPIIYCVKTWHTFI-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.49
Rot. Bonds2

About 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine

4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine (PubChem CID 139913677) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine
PubChem CID139913677
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine
SMILESCC1CN(CC=C(F)F)CCO1
InChIInChI=1S/C8H13F2NO/c1-7-6-11(4-5-12-7)3-2-8(9)10/h2,7H,3-6H2,1H3
InChIKeyXPIIYCVKTWHTFI-UHFFFAOYSA-N
XLogP1.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-4-(trifluoromethyl)morpholine
CID 68099689
2-Methyl-4-(3,3,3-trifluoropropyl)morpholine
CID 68220891
2-Methyl-4-(2,2,2-trifluoroethyl)morpholine
CID 68221657
2,4-Dimethyl-6-(trifluoromethyl)morpholine
CID 68308049
4-Ethyl-2-(trifluoromethyl)morpholine
CID 89019106
4-[(Z)-2,3-difluoroprop-1-enyl]-2,6-dimethylmorpholine
CID 89073905
4-Methyl-2-(trifluoromethyl)morpholine
CID 89212747
(2R)-2-(difluoromethyl)-4-methylmorpholine
CID 89634531
(2R)-4-methyl-2-(trifluoromethyl)morpholine
CID 89634536
(2R,6R)-2,4-dimethyl-6-(trifluoromethyl)morpholine
CID 118395220
(2S,6R)-2,4-dimethyl-6-(trifluoromethyl)morpholine
CID 118395221
(2S)-4-ethyl-2-(trifluoromethyl)morpholine
CID 121359288

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine?
The IUPAC name of 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine (CID 139913677) is 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine.
What is the SMILES notation for 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine?
The canonical SMILES for 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine is CC1CN(CC=C(F)F)CCO1.
What is the InChIKey of 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine?
The InChIKey is XPIIYCVKTWHTFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-7-6-11(4-5-12-7)3-2-8(9)10/h2,7H,3-6H2,1H3.
What are the key properties of 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine?
4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine has a molecular weight of 177.19 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroprop-2-enyl)-2-methylmorpholine is sourced from PubChem (CID 139913677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).