(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one

C10H15F2NO — CID 86704459

IUPAC(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1(C)CC(=O)C[C@@H]2CC(F)(F)CN21
InChIInChI=1S/C10H15F2NO/c1-9(2)5-8(14)3-7-4-10(11,12)6-13(7)9/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXWUVYRWZRAAVFU-SSDOTTSWSA-N
MW203.23 g/mol
LogP1.84
Rot. Bonds

About (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one

(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one (PubChem CID 86704459) has the molecular formula C10H15F2NO and a molecular weight of 203.23 g/mol. Its IUPAC name is (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one.

Molecular Properties

Compound Name(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one
PubChem CID86704459
Molecular FormulaC10H15F2NO
Molecular Weight203.23 g/mol
Exact Mass203.11
IUPAC Name(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one
SMILESCC1(C)CC(=O)C[C@@H]2CC(F)(F)CN21
InChIInChI=1S/C10H15F2NO/c1-9(2)5-8(14)3-7-4-10(11,12)6-13(7)9/h7H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyXWUVYRWZRAAVFU-SSDOTTSWSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one?
The IUPAC name of (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one (CID 86704459) is (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one.
What is the SMILES notation for (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one?
The canonical SMILES for (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one is CC1(C)CC(=O)C[C@@H]2CC(F)(F)CN21.
What is the InChIKey of (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one?
The InChIKey is XWUVYRWZRAAVFU-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15F2NO/c1-9(2)5-8(14)3-7-4-10(11,12)6-13(7)9/h7H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one?
(8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one has a molecular weight of 203.23 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR)-2,2-difluoro-5,5-dimethyl-3,6,8,8a-tetrahydro-1H-indolizin-7-one is sourced from PubChem (CID 86704459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).