2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

C12H20FN — CID 170956574

IUPAC2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILESCCCC12CC(F)CN1CC1(CC1)C2
InChIInChI=1S/C12H20FN/c1-2-3-12-6-10(13)7-14(12)9-11(8-12)4-5-11/h10H,2-9H2,1H3
InChIKeyTVPBZYZWJYGFHY-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.75
Rot. Bonds2

About 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]

2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (PubChem CID 170956574) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].

Molecular Properties

Compound Name2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
PubChem CID170956574
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
SMILESCCCC12CC(F)CN1CC1(CC1)C2
InChIInChI=1S/C12H20FN/c1-2-3-12-6-10(13)7-14(12)9-11(8-12)4-5-11/h10H,2-9H2,1H3
InChIKeyTVPBZYZWJYGFHY-UHFFFAOYSA-N
XLogP2.75
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The IUPAC name of 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] (CID 170956574) is 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane].
What is the SMILES notation for 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The canonical SMILES for 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is CCCC12CC(F)CN1CC1(CC1)C2.
What is the InChIKey of 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
The InChIKey is TVPBZYZWJYGFHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-2-3-12-6-10(13)7-14(12)9-11(8-12)4-5-11/h10H,2-9H2,1H3.
What are the key properties of 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]?
2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] has a molecular weight of 197.30 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-8-propylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane] is sourced from PubChem (CID 170956574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).