(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

C9H13F2N — CID 164875954

IUPAC(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC[C@@]12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3/t9-/m0/s1
InChIKeyRIOYIEJKWMHYNS-VIFPVBQESA-N
MW173.21 g/mol
LogP2.40
Rot. Bonds

About (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine

(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (PubChem CID 164875954) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
PubChem CID164875954
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
SMILESC[C@@]12CCCN1CC(=C(F)F)C2
InChIInChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3/t9-/m0/s1
InChIKeyRIOYIEJKWMHYNS-VIFPVBQESA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(8R)-8-ethyl-2-fluoro-6-methylidene-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 162730761
(6E)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614751
6-(difluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163614752
(6E)-6-(1-fluoroethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163619300
6,6-difluoro-8-prop-1-en-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163623853
(6E)-6-(fluoromethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977864
2-fluoro-6-methylidene-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977865
(6E)-6-(1-fluoroethylidene)-8-(2-methylpropyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 163977871
(6Z,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875903
(6E,8S)-6-(fluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164875923
8-Ethenyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164922807
(6Z)-6-(fluoromethylidene)-8-propan-2-yl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 164943312

Frequently Asked Questions

What is the IUPAC name of (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The IUPAC name of (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine (CID 164875954) is (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The canonical SMILES for (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is C[C@@]12CCCN1CC(=C(F)F)C2.
What is the InChIKey of (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
The InChIKey is RIOYIEJKWMHYNS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13F2N/c1-9-3-2-4-12(9)6-7(5-9)8(10)11/h2-6H2,1H3/t9-/m0/s1.
What are the key properties of (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine?
(8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine has a molecular weight of 173.21 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-6-(difluoromethylidene)-8-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 164875954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).