3-fluoro-4-(1-methylcyclopropyl)pyrrolidine

C8H14FN — CID 59048024

IUPAC3-fluoro-4-(1-methylcyclopropyl)pyrrolidine
SMILESCC1(C2CNCC2F)CC1
InChIInChI=1S/C8H14FN/c1-8(2-3-8)6-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3
InChIKeyPBOYOMBEWSJFKG-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.34
Rot. Bonds1

About 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine

3-fluoro-4-(1-methylcyclopropyl)pyrrolidine (PubChem CID 59048024) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-4-(1-methylcyclopropyl)pyrrolidine
PubChem CID59048024
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-fluoro-4-(1-methylcyclopropyl)pyrrolidine
SMILESCC1(C2CNCC2F)CC1
InChIInChI=1S/C8H14FN/c1-8(2-3-8)6-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3
InChIKeyPBOYOMBEWSJFKG-UHFFFAOYSA-N
XLogP1.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine?
The IUPAC name of 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine (CID 59048024) is 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine.
What is the SMILES notation for 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine?
The canonical SMILES for 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine is CC1(C2CNCC2F)CC1.
What is the InChIKey of 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine?
The InChIKey is PBOYOMBEWSJFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-8(2-3-8)6-4-10-5-7(6)9/h6-7,10H,2-5H2,1H3.
What are the key properties of 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine?
3-fluoro-4-(1-methylcyclopropyl)pyrrolidine has a molecular weight of 143.20 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-methylcyclopropyl)pyrrolidine is sourced from PubChem (CID 59048024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).