3,3-difluoro-1-(3-methoxypropyl)pyrrolidine

C8H15F2NO — CID 21035011

IUPAC3,3-difluoro-1-(3-methoxypropyl)pyrrolidine
SMILESCOCCCN1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-12-6-2-4-11-5-3-8(9,10)7-11/h2-7H2,1H3
InChIKeyBDHMAJIRTYGQOC-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds4

About 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine

3,3-difluoro-1-(3-methoxypropyl)pyrrolidine (PubChem CID 21035011) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(3-methoxypropyl)pyrrolidine
PubChem CID21035011
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3,3-difluoro-1-(3-methoxypropyl)pyrrolidine
SMILESCOCCCN1CCC(F)(F)C1
InChIInChI=1S/C8H15F2NO/c1-12-6-2-4-11-5-3-8(9,10)7-11/h2-7H2,1H3
InChIKeyBDHMAJIRTYGQOC-UHFFFAOYSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine?
The IUPAC name of 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine (CID 21035011) is 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine is COCCCN1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine?
The InChIKey is BDHMAJIRTYGQOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-6-2-4-11-5-3-8(9,10)7-11/h2-7H2,1H3.
What are the key properties of 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine?
3,3-difluoro-1-(3-methoxypropyl)pyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(3-methoxypropyl)pyrrolidine is sourced from PubChem (CID 21035011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).