3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine

C10H17F2NO — CID 137391623

IUPAC3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C2COC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-7(2)9-3-13(6-10(9,11)12)8-4-14-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGNDHWCREFCHDNV-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.61
Rot. Bonds2

About 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine

3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine (PubChem CID 137391623) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine
PubChem CID137391623
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine
SMILESCC(C)C1CN(C2COC2)CC1(F)F
InChIInChI=1S/C10H17F2NO/c1-7(2)9-3-13(6-10(9,11)12)8-4-14-5-8/h7-9H,3-6H2,1-2H3
InChIKeyGNDHWCREFCHDNV-UHFFFAOYSA-N
XLogP1.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine?
The IUPAC name of 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine (CID 137391623) is 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine.
What is the SMILES notation for 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine?
The canonical SMILES for 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine is CC(C)C1CN(C2COC2)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine?
The InChIKey is GNDHWCREFCHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-7(2)9-3-13(6-10(9,11)12)8-4-14-5-8/h7-9H,3-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine?
3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine has a molecular weight of 205.25 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-(oxetan-3-yl)-4-propan-2-ylpyrrolidine is sourced from PubChem (CID 137391623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).