4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine

C16H22FNO — CID 166796477

IUPAC4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine
SMILESC=CCCC(=C)C1=CC(F)=C(N2CCOCC2)CC1
InChIInChI=1S/C16H22FNO/c1-3-4-5-13(2)14-6-7-16(15(17)12-14)18-8-10-19-11-9-18/h3,12H,1-2,4-11H2
InChIKeySZEIDSCDAFBMOY-UHFFFAOYSA-N
MW263.36 g/mol
LogP3.74
Rot. Bonds5

About 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine

4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine (PubChem CID 166796477) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine.

Molecular Properties

Compound Name4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine
PubChem CID166796477
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine
SMILESC=CCCC(=C)C1=CC(F)=C(N2CCOCC2)CC1
InChIInChI=1S/C16H22FNO/c1-3-4-5-13(2)14-6-7-16(15(17)12-14)18-8-10-19-11-9-18/h3,12H,1-2,4-11H2
InChIKeySZEIDSCDAFBMOY-UHFFFAOYSA-N
XLogP3.74
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine?
The IUPAC name of 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine (CID 166796477) is 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine.
What is the SMILES notation for 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine?
The canonical SMILES for 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine is C=CCCC(=C)C1=CC(F)=C(N2CCOCC2)CC1.
What is the InChIKey of 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine?
The InChIKey is SZEIDSCDAFBMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO/c1-3-4-5-13(2)14-6-7-16(15(17)12-14)18-8-10-19-11-9-18/h3,12H,1-2,4-11H2.
What are the key properties of 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine?
4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine has a molecular weight of 263.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-hexa-1,5-dien-2-ylcyclohexa-1,3-dien-1-yl)morpholine is sourced from PubChem (CID 166796477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).