7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine

C10H16FN — CID 163614743

IUPAC7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)C12CCCN1CC=C2F
InChIInChI=1S/C10H16FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h4,8H,3,5-7H2,1-2H3
InChIKeyVPWPMXMSBUGEBJ-UHFFFAOYSA-N
MW169.24 g/mol
LogP2.34
Rot. Bonds1

About 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine

7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine (PubChem CID 163614743) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine.

Molecular Properties

Compound Name7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
PubChem CID163614743
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine
SMILESCC(C)C12CCCN1CC=C2F
InChIInChI=1S/C10H16FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h4,8H,3,5-7H2,1-2H3
InChIKeyVPWPMXMSBUGEBJ-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The IUPAC name of 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine (CID 163614743) is 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine.
What is the SMILES notation for 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The canonical SMILES for 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine is CC(C)C12CCCN1CC=C2F.
What is the InChIKey of 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
The InChIKey is VPWPMXMSBUGEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(2)10-5-3-6-12(10)7-4-9(10)11/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine?
7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine has a molecular weight of 169.24 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-propan-2-yl-1,2,3,5-tetrahydropyrrolizine is sourced from PubChem (CID 163614743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).