2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine

C7H10FN — CID 172628021

IUPAC2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine
SMILESFC1CC2CC=CN2C1
InChIInChI=1S/C7H10FN/c8-6-4-7-2-1-3-9(7)5-6/h1,3,6-7H,2,4-5H2
InChIKeyDGCSDAUZXWMOMB-UHFFFAOYSA-N
MW127.16 g/mol
LogP1.32
Rot. Bonds

About 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine

2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine (PubChem CID 172628021) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine.

Molecular Properties

Compound Name2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine
PubChem CID172628021
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine
SMILESFC1CC2CC=CN2C1
InChIInChI=1S/C7H10FN/c8-6-4-7-2-1-3-9(7)5-6/h1,3,6-7H,2,4-5H2
InChIKeyDGCSDAUZXWMOMB-UHFFFAOYSA-N
XLogP1.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine?
The IUPAC name of 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine (CID 172628021) is 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine.
What is the SMILES notation for 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine?
The canonical SMILES for 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine is FC1CC2CC=CN2C1.
What is the InChIKey of 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine?
The InChIKey is DGCSDAUZXWMOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN/c8-6-4-7-2-1-3-9(7)5-6/h1,3,6-7H,2,4-5H2.
What are the key properties of 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine?
2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine has a molecular weight of 127.16 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2,3,7,8-tetrahydro-1H-pyrrolizine is sourced from PubChem (CID 172628021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).