3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine

C13H22FNO — CID 106655073

IUPAC3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine
SMILESCC(F)(CC1COCCN1)C1=CCCCC1
InChIInChI=1S/C13H22FNO/c1-13(14,11-5-3-2-4-6-11)9-12-10-16-8-7-15-12/h5,12,15H,2-4,6-10H2,1H3
InChIKeyVCZRELHWOOQGCM-UHFFFAOYSA-N
MW227.32 g/mol
LogP2.59
Rot. Bonds3

About 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine

3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine (PubChem CID 106655073) has the molecular formula C13H22FNO and a molecular weight of 227.32 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine
PubChem CID106655073
Molecular FormulaC13H22FNO
Molecular Weight227.32 g/mol
Exact Mass227.17
IUPAC Name3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine
SMILESCC(F)(CC1COCCN1)C1=CCCCC1
InChIInChI=1S/C13H22FNO/c1-13(14,11-5-3-2-4-6-11)9-12-10-16-8-7-15-12/h5,12,15H,2-4,6-10H2,1H3
InChIKeyVCZRELHWOOQGCM-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.32
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Fluoro-2-[6-(2-methylprop-1-enyl)oxan-2-yl]-4-(2-methylpropyl)piperidine
CID 146488690
2-[2-(3,4-dihydro-2H-pyran-6-yl)-2-fluoropropyl]piperidine
CID 102648262
1-(cyclohexen-1-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207503
3-[2-(Cyclohepten-1-yl)-2-fluoropropyl]morpholine
CID 106655074
N-[1-(cyclohexen-1-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 113788173
3-[2-(Cycloocten-1-yl)-2-fluoropropyl]morpholine
CID 113860683
3-(2-Fluoro-2-methylpent-4-enyl)morpholine
CID 116011189
3-(2-Fluoro-2,4-dimethylpent-3-enyl)morpholine
CID 116011290
3-(2-Fluoro-2,3-dimethylbut-3-enyl)morpholine
CID 116011342
3-[2-(3,4-dihydro-2H-pyran-5-yl)-2-fluoropropyl]morpholine
CID 116011395
3,3-Di(cyclohexen-1-yl)morpholine
CID 57287098
ethane;(4E,6S)-N,6,7-trimethyl-1-propoxy-4-propylideneoctan-2-amine
CID 142984267

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine?
The IUPAC name of 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine (CID 106655073) is 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine is CC(F)(CC1COCCN1)C1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine?
The InChIKey is VCZRELHWOOQGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FNO/c1-13(14,11-5-3-2-4-6-11)9-12-10-16-8-7-15-12/h5,12,15H,2-4,6-10H2,1H3.
What are the key properties of 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine?
3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine has a molecular weight of 227.32 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)-2-fluoropropyl]morpholine is sourced from PubChem (CID 106655073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).