ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium

C11H21FNOV- — CID 177326898

IUPACethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium
SMILESC=[C-]N1CCC(F)(COC)CC1.CC.[V]
InChIInChI=1S/C9H15FNO.C2H6.V/c1-3-11-6-4-9(10,5-7-11)8-12-2;1-2;/h1,4-8H2,2H3;1-2H3;/q-1;;
InChIKeyKCRBKKQCBVZIAA-UHFFFAOYSA-N
MW253.24 g/mol
LogP2.41
Rot. Bonds3

About ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium

ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium (PubChem CID 177326898) has the molecular formula C11H21FNOV- and a molecular weight of 253.24 g/mol. Its IUPAC name is ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium.

Molecular Properties

Compound Nameethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium
PubChem CID177326898
Molecular FormulaC11H21FNOV-
Molecular Weight253.24 g/mol
Exact Mass253.11
IUPAC Nameethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium
SMILESC=[C-]N1CCC(F)(COC)CC1.CC.[V]
InChIInChI=1S/C9H15FNO.C2H6.V/c1-3-11-6-4-9(10,5-7-11)8-12-2;1-2;/h1,4-8H2,2H3;1-2H3;/q-1;;
InChIKeyKCRBKKQCBVZIAA-UHFFFAOYSA-N
XLogP2.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
CID 122549628
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
3-fluoro-3-(methoxymethyl)piperidine
CID 112562901
2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 171993161
3-fluoro-3-(methoxymethyl)azetidine-1-carboxylic acid
CID 175890600
4-methoxy-4-(methoxymethyl)-1-methylpiperidine
CID 90227657
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 168942817
4-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-5,6-dimethylpyrimidine
CID 171992582
3-fluoro-3-(methoxymethyl)-1-(naphthalen-1-ylmethyl)pyrrolidine
CID 171998234
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
5-[[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]methyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 171992903

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium?
The IUPAC name of ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium (CID 177326898) is ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium.
What is the SMILES notation for ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium?
The canonical SMILES for ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium is C=[C-]N1CCC(F)(COC)CC1.CC.[V].
What is the InChIKey of ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium?
The InChIKey is KCRBKKQCBVZIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FNO.C2H6.V/c1-3-11-6-4-9(10,5-7-11)8-12-2;1-2;/h1,4-8H2,2H3;1-2H3;/q-1;;.
What are the key properties of ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium?
ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium has a molecular weight of 253.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium is sourced from PubChem (CID 177326898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).