1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine

C11H13F2N — CID 145172124

IUPAC1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine
SMILESC=C1C(C)=CC(C)=C2N1CCC2(F)F
InChIInChI=1S/C11H13F2N/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3/h6H,3-5H2,1-2H3
InChIKeyMRCUGCGAOVDJOM-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.08
Rot. Bonds

About 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine

1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine (PubChem CID 145172124) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine.

Molecular Properties

Compound Name1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine
PubChem CID145172124
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine
SMILESC=C1C(C)=CC(C)=C2N1CCC2(F)F
InChIInChI=1S/C11H13F2N/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3/h6H,3-5H2,1-2H3
InChIKeyMRCUGCGAOVDJOM-UHFFFAOYSA-N
XLogP3.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine?
The IUPAC name of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine (CID 145172124) is 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine.
What is the SMILES notation for 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine?
The canonical SMILES for 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine is C=C1C(C)=CC(C)=C2N1CCC2(F)F.
What is the InChIKey of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine?
The InChIKey is MRCUGCGAOVDJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3/h6H,3-5H2,1-2H3.
What are the key properties of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine?
1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine has a molecular weight of 197.23 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine is sourced from PubChem (CID 145172124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).