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

C13H19F2N — CID 145172123

IUPAC1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane
SMILESC=C1C(C)=CC(C)=C2N1CCC2(F)F.CC
InChIInChI=1S/C11H13F2N.C2H6/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyRXSSYAOWZZSWSQ-UHFFFAOYSA-N
MW227.30 g/mol
LogP4.10
Rot. Bonds

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

1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane (PubChem CID 145172123) has the molecular formula C13H19F2N and a molecular weight of 227.30 g/mol. Its IUPAC name is 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane.

Molecular Properties

Compound Name1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane
PubChem CID145172123
Molecular FormulaC13H19F2N
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane
SMILESC=C1C(C)=CC(C)=C2N1CCC2(F)F.CC
InChIInChI=1S/C11H13F2N.C2H6/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyRXSSYAOWZZSWSQ-UHFFFAOYSA-N
XLogP4.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-(3,5-difluoro-4-methylcyclohexa-1,5-dien-1-yl)-3-fluoropyrrolidine
CID 118618026
2-ethyl-1,6-dimethyl-4-(trifluoromethyl)-2H-pyridine
CID 123161901
1-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 139317881
1-[(2E)-2-ethyl-5-methylhexa-2,4-dienyl]-3,3-difluoropyrrolidine
CID 139317991
1-[(1E,3E)-4-(trifluoromethyl)cyclonona-1,3,5-trien-1-yl]pyrrolidine
CID 142185265
N-ethyl-N-methyl-6-(trifluoromethyl)cyclohexa-1,5-dien-1-amine
CID 142451897
3,3-difluoro-1-[(3E)-4-propan-2-ylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 142482447
ethane;1-[(3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-1,3,5-trien-2-yl]pyrrolidine
CID 143610971
ethane;(2E)-2-(1-pyrrolidin-1-ylethenyl)-4-(trifluoromethyl)penta-2,4-dienenitrile
CID 144145381
ethane;N-ethyl-N-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-amine
CID 144539787
(3Z)-N-(2,2-difluorobutyl)-N,5-dimethylhexa-1,3,5-trien-2-amine;ethane
CID 144717287
3-fluoro-1-[(3E)-5-methylhexa-1,3,5-trien-3-yl]pyrrolidine
CID 144746560

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane?
The IUPAC name of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane (CID 145172123) is 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane.
What is the SMILES notation for 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane?
The canonical SMILES for 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane is C=C1C(C)=CC(C)=C2N1CCC2(F)F.CC.
What is the InChIKey of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane?
The InChIKey is RXSSYAOWZZSWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N.C2H6/c1-7-6-8(2)10-11(12,13)4-5-14(10)9(7)3;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of 1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane?
1,1-difluoro-6,8-dimethyl-5-methylidene-2,3-dihydroindolizine;ethane has a molecular weight of 227.30 g/mol, XLogP of 4.10, 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;ethane is sourced from PubChem (CID 145172123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).