4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C9H17F2NO — CID 129134151

IUPAC4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-5-7-4-9(10,11)6-12-7/h7,12H,4-6H2,1-3H3
InChIKeyTUAVUMQFAQWAHJ-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.80
Rot. Bonds2

About 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 129134151) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID129134151
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CC(F)(F)CN1
InChIInChI=1S/C9H17F2NO/c1-8(2,3)13-5-7-4-9(10,11)6-12-7/h7,12H,4-6H2,1-3H3
InChIKeyTUAVUMQFAQWAHJ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 129134151) is 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OCC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is TUAVUMQFAQWAHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-8(2,3)13-5-7-4-9(10,11)6-12-7/h7,12H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 129134151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).