6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

C10H15F2N — CID 163623853

IUPAC6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C(C)C12CCCN1CC(F)(F)C2
InChIInChI=1S/C10H15F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h1,3-7H2,2H3
InChIKeyHQKLNICUYYPYLY-UHFFFAOYSA-N
MW187.23 g/mol
LogP2.44
Rot. Bonds1

About 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine

6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 163623853) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID163623853
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC=C(C)C12CCCN1CC(F)(F)C2
InChIInChI=1S/C10H15F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h1,3-7H2,2H3
InChIKeyHQKLNICUYYPYLY-UHFFFAOYSA-N
XLogP2.44
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 ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 163623853) is 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is C=C(C)C12CCCN1CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is HQKLNICUYYPYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N/c1-8(2)9-4-3-5-13(9)7-10(11,12)6-9/h1,3-7H2,2H3.
What are the key properties of 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine?
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 187.23 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163623853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).