(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

C10H15F2N — CID 164875875

IUPAC(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C10H15F2N/c1-8-3-2-4-13(8)7-9(5-8)6-10(9,11)12/h2-7H2,1H3/t8-,9?/m0/s1
InChIKeyBLOKHJDQAXBWJX-IENPIDJESA-N
MW187.23 g/mol
LogP2.27
Rot. Bonds

About (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]

(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (PubChem CID 164875875) has the molecular formula C10H15F2N and a molecular weight of 187.23 g/mol. Its IUPAC name is (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].

Molecular Properties

Compound Name(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
PubChem CID164875875
Molecular FormulaC10H15F2N
Molecular Weight187.23 g/mol
Exact Mass187.12
IUPAC Name(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
SMILESC[C@@]12CCCN1CC1(CC1(F)F)C2
InChIInChI=1S/C10H15F2N/c1-8-3-2-4-13(8)7-9(5-8)6-10(9,11)12/h2-7H2,1H3/t8-,9?/m0/s1
InChIKeyBLOKHJDQAXBWJX-IENPIDJESA-N
XLogP2.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] with MolForge

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Related Compounds

8-(2,2-dimethylpropyl)-6-fluoro-6-methyl-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 160649558
7,7-difluoro-8-(2-methylpropyl)-2,3,5,6-tetrahydro-1H-pyrrolizine
CID 163977861
8-(2,2-Dimethylpropyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 164735301
(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane];molecular hydrogen
CID 164875874
1',1'-difluoro-8-propan-2-ylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 164875882
1',1'-Difluorospiro[1,2,3,5,7,8-hexahydropyrrolizine-6,2'-cyclopropane]
CID 164876001
(6R)-1',1'-difluoro-8-propan-2-ylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 164943185
3,3-Difluoro-1-propan-2-yl-6-azatricyclo[4.3.0.02,4]nonane
CID 164943374
8-ethyl-2-fluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 165123686
2,6-Difluoro-8-methyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 165123842
8-ethyl-1',1',2-trifluorospiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]
CID 165123955
(8S)-8-ethyl-6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 166489552

Frequently Asked Questions

What is the IUPAC name of (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The IUPAC name of (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] (CID 164875875) is (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane].
What is the SMILES notation for (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The canonical SMILES for (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is C[C@@]12CCCN1CC1(CC1(F)F)C2.
What is the InChIKey of (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
The InChIKey is BLOKHJDQAXBWJX-IENPIDJESA-N. The full InChI is InChI=1S/C10H15F2N/c1-8-3-2-4-13(8)7-9(5-8)6-10(9,11)12/h2-7H2,1H3/t8-,9?/m0/s1.
What are the key properties of (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane]?
(8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] has a molecular weight of 187.23 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-1',1'-difluoro-8-methylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,2'-cyclopropane] is sourced from PubChem (CID 164875875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).