3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine

C11H18F3NO — CID 104855458

IUPAC3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine
SMILESCC(=CCCC(F)(F)F)CC1COCCN1
InChIInChI=1S/C11H18F3NO/c1-9(3-2-4-11(12,13)14)7-10-8-16-6-5-15-10/h3,10,15H,2,4-8H2,1H3
InChIKeyPSYGEQBSVFSOFB-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.65
Rot. Bonds4

About 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine

3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine (PubChem CID 104855458) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine.

Molecular Properties

Compound Name3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine
PubChem CID104855458
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine
SMILESCC(=CCCC(F)(F)F)CC1COCCN1
InChIInChI=1S/C11H18F3NO/c1-9(3-2-4-11(12,13)14)7-10-8-16-6-5-15-10/h3,10,15H,2,4-8H2,1H3
InChIKeyPSYGEQBSVFSOFB-UHFFFAOYSA-N
XLogP2.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[(2Z,4E)-7,7,7-trifluorohepta-2,4-dien-4-yl]morpholine
CID 166776101
(3S,5R)-3-methyl-5-[4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]morpholine
CID 167125847
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-en-1-amine
CID 65703143
7,7,7-trifluoro-N-(2-methoxyethyl)-4-methylhept-3-en-1-amine
CID 79607314
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 102647827
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 102647828
1-(3,4-dihydro-2H-pyran-6-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 102647829
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103215439
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103215446
N-ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215713
N,4-dimethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103215717

Frequently Asked Questions

What is the IUPAC name of 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine?
The IUPAC name of 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine (CID 104855458) is 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine.
What is the SMILES notation for 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine?
The canonical SMILES for 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine is CC(=CCCC(F)(F)F)CC1COCCN1.
What is the InChIKey of 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine?
The InChIKey is PSYGEQBSVFSOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-9(3-2-4-11(12,13)14)7-10-8-16-6-5-15-10/h3,10,15H,2,4-8H2,1H3.
What are the key properties of 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine?
3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine has a molecular weight of 237.26 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6,6-trifluoro-2-methylhex-2-enyl)morpholine is sourced from PubChem (CID 104855458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).