4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine

C10H14F5NO — CID 134384157

IUPAC4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C10H14F5NO/c1-7(2)9(12,13)8(11)10(14,15)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3
InChIKeyFSOFZQSDBWIWEM-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.46
Rot. Bonds4

About 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine

4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine (PubChem CID 134384157) has the molecular formula C10H14F5NO and a molecular weight of 259.22 g/mol. Its IUPAC name is 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine.

Molecular Properties

Compound Name4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine
PubChem CID134384157
Molecular FormulaC10H14F5NO
Molecular Weight259.22 g/mol
Exact Mass259.10
IUPAC Name4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine
SMILESC=C(C)C(F)(F)C(F)C(F)(F)N1CCOCC1
InChIInChI=1S/C10H14F5NO/c1-7(2)9(12,13)8(11)10(14,15)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3
InChIKeyFSOFZQSDBWIWEM-UHFFFAOYSA-N
XLogP2.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(Trifluoromethyl)pent-4-enyl]morpholine
CID 146168644
4-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine
CID 124118177
2,6-Bis(trifluoromethyl)-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
CID 124118184
4-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-2,6-bis(trifluoromethyl)morpholine
CID 124118192
4-(1,2,2-Trifluoro-3-methylbut-3-enyl)morpholine
CID 124118198
4-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)morpholine
CID 124118202
4-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)-2,6-bis(trifluoromethyl)morpholine
CID 134384145
2,6-Dimethyl-4-(1,2,2-trifluoro-3-methylbut-3-enyl)morpholine
CID 134531057
4-(1,2-Difluoro-2,3-dimethylbut-3-enyl)morpholine
CID 134531081
4-(1,1,2,3-Tetrafluorobut-3-enyl)morpholine
CID 153618289
4-[(2R)-1,2-difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]morpholine
CID 155372988
4-[2-Fluoro-3-(trifluoromethyl)but-3-enyl]morpholine
CID 163932270

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine?
The IUPAC name of 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine (CID 134384157) is 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine.
What is the SMILES notation for 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine?
The canonical SMILES for 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine is C=C(C)C(F)(F)C(F)C(F)(F)N1CCOCC1.
What is the InChIKey of 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine?
The InChIKey is FSOFZQSDBWIWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5NO/c1-7(2)9(12,13)8(11)10(14,15)16-3-5-17-6-4-16/h8H,1,3-6H2,2H3.
What are the key properties of 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine?
4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine has a molecular weight of 259.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,2,3,3-pentafluoro-4-methylpent-4-enyl)morpholine is sourced from PubChem (CID 134384157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).