1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone

C15H22FNO2 — CID 143482919

IUPAC1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone
SMILESC=C(F)CC/C=C\C(=C)CN1CCOC(C(C)=O)C1
InChIInChI=1S/C15H22FNO2/c1-12(6-4-5-7-13(2)16)10-17-8-9-19-15(11-17)14(3)18/h4,6,15H,1-2,5,7-11H2,3H3/b6-4-
InChIKeyKDBMDOKWMBERRF-XQRVVYSFSA-N
MW267.34 g/mol
LogP2.65
Rot. Bonds7

About 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone

1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone (PubChem CID 143482919) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone
PubChem CID143482919
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone
SMILESC=C(F)CC/C=C\C(=C)CN1CCOC(C(C)=O)C1
InChIInChI=1S/C15H22FNO2/c1-12(6-4-5-7-13(2)16)10-17-8-9-19-15(11-17)14(3)18/h4,6,15H,1-2,5,7-11H2,3H3/b6-4-
InChIKeyKDBMDOKWMBERRF-XQRVVYSFSA-N
XLogP2.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone with MolForge

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Related Compounds

4-ethylmorpholine-2-carboxylate
CID 127053688
1-(4-acetylmorpholin-2-yl)ethanone
CID 59110253
ethane;4-ethyl-2-prop-1-en-2-ylmorpholine
CID 177135934
methyl 4-[(E)-but-2-enyl]morpholine-2-carboxylate
CID 78926479
4-hept-6-enylmorpholine-2-carboxylic acid
CID 107007820
2-(2-carbamothioylmorpholin-4-yl)acetamide
CID 79680931
N,N-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-2-carboxamide
CID 131925823
2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine
CID 130693715
1-(4-ethylmorpholin-2-yl)-4,4,4-trifluorobutan-1-one
CID 79666251
N,N-dimethyl-4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholine-2-carboxamide;formic acid
CID 154909175
N,N-dimethyl-4-propylmorpholine-2-carboxamide
CID 177158448
methyl 4-(2-ethoxy-2-oxoethyl)morpholine-2-carboxylate
CID 78927241

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone?
The IUPAC name of 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone (CID 143482919) is 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone.
What is the SMILES notation for 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone?
The canonical SMILES for 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone is C=C(F)CC/C=C\C(=C)CN1CCOC(C(C)=O)C1.
What is the InChIKey of 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone?
The InChIKey is KDBMDOKWMBERRF-XQRVVYSFSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(6-4-5-7-13(2)16)10-17-8-9-19-15(11-17)14(3)18/h4,6,15H,1-2,5,7-11H2,3H3/b6-4-.
What are the key properties of 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone?
1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone has a molecular weight of 267.34 g/mol, XLogP of 2.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3Z)-7-fluoro-2-methylideneocta-3,7-dienyl]morpholin-2-yl]ethanone is sourced from PubChem (CID 143482919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).