(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H16FNO — CID 166984315

IUPAC(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C10H16FNO/c1-13-8-10-3-2-4-12(10)7-9(5-10)6-11/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyMLWMLHKRRHSYAT-TWGQIWQCSA-N
MW185.24 g/mol
LogP1.72
Rot. Bonds2

About (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine

(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166984315) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166984315
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCOCC12CCCN1C/C(=C\F)C2
InChIInChI=1S/C10H16FNO/c1-13-8-10-3-2-4-12(10)7-9(5-10)6-11/h6H,2-5,7-8H2,1H3/b9-6-
InChIKeyMLWMLHKRRHSYAT-TWGQIWQCSA-N
XLogP1.72
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-6-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 123968379
2-Fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156898417
(E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 162730762
(2R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 162743140
(6E)-6-(fluoromethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656569
2-fluoro-6-methylidene-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656570
(6E)-6-(1-fluoroethylidene)-8-(propan-2-yloxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163656573
(2-fluoro-6-methylene-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methanol
CID 163686023
[(6Z,8S)-6-(fluoromethylene)-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl]methanol
CID 164875895
(S,Z)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876019
(S,E)-(2-(Fluoromethylene)tetrahydro-1H-pyrrolizin-7A(5H)-YL)methanol
CID 164876022
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427

Frequently Asked Questions

What is the IUPAC name of (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166984315) is (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is COCC12CCCN1C/C(=C\F)C2.
What is the InChIKey of (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is MLWMLHKRRHSYAT-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H16FNO/c1-13-8-10-3-2-4-12(10)7-9(5-10)6-11/h6H,2-5,7-8H2,1H3/b9-6-.
What are the key properties of (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine?
(6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 185.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-6-(fluoromethylidene)-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166984315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).