(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine

C14H24FNO — CID 176610784

IUPAC(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
SMILESCC(C)(C)OCC12CCCCN1C/C(=C\F)C2
InChIInChI=1S/C14H24FNO/c1-13(2,3)17-11-14-6-4-5-7-16(14)10-12(8-14)9-15/h9H,4-8,10-11H2,1-3H3/b12-9-
InChIKeyRHXLSYPOOZIAIB-XFXZXTDPSA-N
MW241.35 g/mol
LogP3.28
Rot. Bonds2

About (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine

(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine (PubChem CID 176610784) has the molecular formula C14H24FNO and a molecular weight of 241.35 g/mol. Its IUPAC name is (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine.

Molecular Properties

Compound Name(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
PubChem CID176610784
Molecular FormulaC14H24FNO
Molecular Weight241.35 g/mol
Exact Mass241.18
IUPAC Name(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
SMILESCC(C)(C)OCC12CCCCN1C/C(=C\F)C2
InChIInChI=1S/C14H24FNO/c1-13(2,3)17-11-14-6-4-5-7-16(14)10-12(8-14)9-15/h9H,4-8,10-11H2,1-3H3/b12-9-
InChIKeyRHXLSYPOOZIAIB-XFXZXTDPSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 171454002
(2R,8aR)-2-(2,2-difluoroethenyl)-8a-(methoxymethyl)-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 172278803
(7E,8aS)-7-(fluoromethylidene)-8a-(methoxymethyl)-3,4,6,8-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 172380374
(7Z,8aS)-7-(fluoromethylidene)-8a-(methoxymethyl)-3,4,6,8-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine
CID 172380491
(2R,8aS)-2-fluoro-8a-[(2-methylpropan-2-yl)oxymethyl]-2,3,5,6,7,8-hexahydro-1H-indolizine
CID 176610739
1-Ethoxy-1,3-dimethyl-2-methylidene-3,5,6,7,8,8a-hexahydroindolizine
CID 123683182
6-Methylidene-8a-(propan-2-yloxymethyl)-1,2,3,5,7,8-hexahydroindolizine
CID 164922044
2-Methylidene-8a-(propan-2-yloxymethyl)-1,3,5,6,7,8-hexahydroindolizine
CID 164922132
8a-[[(1R)-1-iodoethoxy]methyl]-2-methylidene-1,3,5,6,7,8-hexahydroindolizine
CID 164922634
8a-[[(1S)-1-iodoethoxy]methyl]-6-methylidene-1,2,3,5,7,8-hexahydroindolizine
CID 164922775
2-Methylidene-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine
CID 176610744

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The IUPAC name of (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine (CID 176610784) is (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine.
What is the SMILES notation for (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The canonical SMILES for (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine is CC(C)(C)OCC12CCCCN1C/C(=C\F)C2.
What is the InChIKey of (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
The InChIKey is RHXLSYPOOZIAIB-XFXZXTDPSA-N. The full InChI is InChI=1S/C14H24FNO/c1-13(2,3)17-11-14-6-4-5-7-16(14)10-12(8-14)9-15/h9H,4-8,10-11H2,1-3H3/b12-9-.
What are the key properties of (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine?
(2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine has a molecular weight of 241.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(fluoromethylidene)-8a-[(2-methylpropan-2-yl)oxymethyl]-1,3,5,6,7,8-hexahydroindolizine is sourced from PubChem (CID 176610784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).