6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H15F2N — CID 166984254

IUPAC6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C10H15F2N/c1-2-10-4-3-5-13(10)7-8(6-10)9(11)12/h2-7H2,1H3
InChIKeyVIHOGZRBYYQXCW-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.79
Rot. Bonds1

About 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine

6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 166984254) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID166984254
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESCCC12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C10H15F2N/c1-2-10-4-3-5-13(10)7-8(6-10)9(11)12/h2-7H2,1H3
InChIKeyVIHOGZRBYYQXCW-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
6-(difluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614752
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163619300
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875923
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875954
8-Ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922807

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 166984254) is 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine is CCC12CCCN1CC(=C(F)F)C2.
What is the InChIKey of 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is VIHOGZRBYYQXCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-2-10-4-3-5-13(10)7-8(6-10)9(11)12/h2-7H2,1H3.
What are the key properties of 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 187.23 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethylidene)-8-ethyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 166984254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).