2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine

C10H12F7NO — CID 174357872

IUPAC2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine
SMILESC=C(F)C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H12F7NO/c1-5-3-18(4-7(19-5)9(12,13)14)8(6(2)11)10(15,16)17/h5,7-8H,2-4H2,1H3
InChIKeyRUYMDDZHMYOGLW-UHFFFAOYSA-N
MW295.20 g/mol
LogP3.05
Rot. Bonds2

About 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine

2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine (PubChem CID 174357872) has the molecular formula C10H12F7NO and a molecular weight of 295.20 g/mol. Its IUPAC name is 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine.

Molecular Properties

Compound Name2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine
PubChem CID174357872
Molecular FormulaC10H12F7NO
Molecular Weight295.20 g/mol
Exact Mass295.08
IUPAC Name2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine
SMILESC=C(F)C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)F
InChIInChI=1S/C10H12F7NO/c1-5-3-18(4-7(19-5)9(12,13)14)8(6(2)11)10(15,16)17/h5,7-8H,2-4H2,1H3
InChIKeyRUYMDDZHMYOGLW-UHFFFAOYSA-N
XLogP3.05
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 124118181
CID 124118181
CID 124118184
CID 124118184
CID 124118192
CID 124118192
CID 124118202
CID 124118202
CID 129207496
CID 129207496
CID 129207497
CID 129207497
CID 129207511
CID 129207511
CID 129207757
CID 129207757
CID 129207759
CID 129207759
CID 129207767
CID 129207767
CID 129207801
CID 129207801
CID 129207805
CID 129207805

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine?
The IUPAC name of 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine (CID 174357872) is 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine.
What is the SMILES notation for 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine?
The canonical SMILES for 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine is C=C(F)C(N1CC(C)OC(C(F)(F)F)C1)C(F)(F)F.
What is the InChIKey of 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine?
The InChIKey is RUYMDDZHMYOGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F7NO/c1-5-3-18(4-7(19-5)9(12,13)14)8(6(2)11)10(15,16)17/h5,7-8H,2-4H2,1H3.
What are the key properties of 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine?
2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine has a molecular weight of 295.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,1,1,3-tetrafluorobut-3-en-2-yl)-6-(trifluoromethyl)morpholine is sourced from PubChem (CID 174357872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).