7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

C11H19F2N — CID 163977861

IUPAC7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1CCC2(F)F
InChIInChI=1S/C11H19F2N/c1-9(2)8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3
InChIKeyFHFIJEBELBPXED-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.91
Rot. Bonds2

About 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine

7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (PubChem CID 163977861) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
PubChem CID163977861
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
SMILESCC(C)CC12CCCN1CCC2(F)F
InChIInChI=1S/C11H19F2N/c1-9(2)8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3
InChIKeyFHFIJEBELBPXED-UHFFFAOYSA-N
XLogP2.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7a-Methyl-hexahydro-pyrrolizine
CID 13759523
(1S,8S)-1-(trifluoromethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101494997
(3R,8S)-3-ethyl-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 134980453
1,4-dimethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium
CID 427638
(3aR,6aS)-5-tert-butyl-2-[(4,4-difluorocyclohexyl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 118531454
(3aS,6aR)-2-tert-butyl-5,5-difluoro-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole
CID 140929495
1-(2,3-Dimethylbutan-2-yl)-4-(2,3-dimethyl-2-pyrrolidin-1-ylbutyl)-3,3-difluoropyrrolidine
CID 146244486
2-Tert-butyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 153506022
1-tert-butyl-4-[2-methyl-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]propyl]-2-(trifluoromethyl)pyrrolidine
CID 154981924
6,6-difluoro-8-(iodomethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206195
(3aR,6aS)-2-tert-butyl-4,4-difluoro-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 156299486
(8S)-2-fluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 156645435

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The IUPAC name of 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine (CID 163977861) is 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is CC(C)CC12CCCN1CCC2(F)F.
What is the InChIKey of 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
The InChIKey is FHFIJEBELBPXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-9(2)8-10-4-3-6-14(10)7-5-11(10,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine?
7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine has a molecular weight of 203.28 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 163977861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).