4-(4-fluoropenta-1,3-dien-3-yl)morpholine

C9H14FNO — CID 123587571

IUPAC4-(4-fluoropenta-1,3-dien-3-yl)morpholine
SMILESC=CC(=C(C)F)N1CCOCC1
InChIInChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,1,4-7H2,2H3
InChIKeyBXLMSLUBMKZNPN-UHFFFAOYSA-N
MW171.22 g/mol
LogP1.71
Rot. Bonds2

About 4-(4-fluoropenta-1,3-dien-3-yl)morpholine

4-(4-fluoropenta-1,3-dien-3-yl)morpholine (PubChem CID 123587571) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is 4-(4-fluoropenta-1,3-dien-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-fluoropenta-1,3-dien-3-yl)morpholine
PubChem CID123587571
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC Name4-(4-fluoropenta-1,3-dien-3-yl)morpholine
SMILESC=CC(=C(C)F)N1CCOCC1
InChIInChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,1,4-7H2,2H3
InChIKeyBXLMSLUBMKZNPN-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-1,1,1-trifluorobut-2-en-2-yl]morpholine
CID 134530509
4-[(3E)-2-fluoropenta-1,3-dien-3-yl]morpholine
CID 135170053
4-[(3E)-3-fluoropenta-1,3-dien-2-yl]morpholine
CID 143431081
4-[(2Z,4Z)-2-fluoro-6-methylhepta-2,4,6-trien-3-yl]morpholine
CID 166687859
(3Z,5Z)-N-(2-ethoxyethyl)-3-fluoro-N-methylhepta-1,3,5-trien-4-amine
CID 143588785
4-[(1Z)-1-fluorobuta-1,3-dien-2-yl]morpholine
CID 145563850
4-[(3E)-6-methylhepta-1,3,5-trien-3-yl]morpholine
CID 12856185
4-[(3E)-penta-1,3-dien-3-yl]morpholine
CID 22149528
Lithium 4-phenylmorpholine
CID 59446633
4-[(3Z)-penta-1,3-dien-2-yl]morpholine
CID 90153979
4-Hexa-2,4-dien-3-ylmorpholine
CID 90725635
4-Hexa-1,3,5-trien-3-ylmorpholine
CID 90881942

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoropenta-1,3-dien-3-yl)morpholine?
The IUPAC name of 4-(4-fluoropenta-1,3-dien-3-yl)morpholine (CID 123587571) is 4-(4-fluoropenta-1,3-dien-3-yl)morpholine.
What is the SMILES notation for 4-(4-fluoropenta-1,3-dien-3-yl)morpholine?
The canonical SMILES for 4-(4-fluoropenta-1,3-dien-3-yl)morpholine is C=CC(=C(C)F)N1CCOCC1.
What is the InChIKey of 4-(4-fluoropenta-1,3-dien-3-yl)morpholine?
The InChIKey is BXLMSLUBMKZNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c1-3-9(8(2)10)11-4-6-12-7-5-11/h3H,1,4-7H2,2H3.
What are the key properties of 4-(4-fluoropenta-1,3-dien-3-yl)morpholine?
4-(4-fluoropenta-1,3-dien-3-yl)morpholine has a molecular weight of 171.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoropenta-1,3-dien-3-yl)morpholine is sourced from PubChem (CID 123587571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).