2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine

C9H13F2NO — CID 177151938

IUPAC2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
SMILESC=C(/C=C\C)C1CNCC(F)(F)O1
InChIInChI=1S/C9H13F2NO/c1-3-4-7(2)8-5-12-6-9(10,11)13-8/h3-4,8,12H,2,5-6H2,1H3/b4-3-
InChIKeyRSXRVSJGNWKXBM-ARJAWSKDSA-N
MW189.20 g/mol
LogP1.70
Rot. Bonds2

About 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine

2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine (PubChem CID 177151938) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine.

Molecular Properties

Compound Name2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
PubChem CID177151938
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine
SMILESC=C(/C=C\C)C1CNCC(F)(F)O1
InChIInChI=1S/C9H13F2NO/c1-3-4-7(2)8-5-12-6-9(10,11)13-8/h3-4,8,12H,2,5-6H2,1H3/b4-3-
InChIKeyRSXRVSJGNWKXBM-ARJAWSKDSA-N
XLogP1.70
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
CID 70973198
(E,2S)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224603
(E,2R)-4-fluoro-2-methoxy-N-methyl-3-methylidenehex-4-en-1-amine
CID 134224605
1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 134224607
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140
2-[(E)-2-ethenyl-1,1-difluoro-5-methyl-4-methylidenehex-2-enyl]morpholine
CID 164919318
6-Cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
CID 178115857
1-[(3S,6S)-4,5-bis(ethenyl)-3-fluoro-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279477

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine?
The IUPAC name of 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine (CID 177151938) is 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine.
What is the SMILES notation for 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine?
The canonical SMILES for 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine is C=C(/C=C\C)C1CNCC(F)(F)O1.
What is the InChIKey of 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine?
The InChIKey is RSXRVSJGNWKXBM-ARJAWSKDSA-N. The full InChI is InChI=1S/C9H13F2NO/c1-3-4-7(2)8-5-12-6-9(10,11)13-8/h3-4,8,12H,2,5-6H2,1H3/b4-3-.
What are the key properties of 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine?
2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine has a molecular weight of 189.20 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-[(3Z)-penta-1,3-dien-2-yl]morpholine is sourced from PubChem (CID 177151938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).