3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane

C9H19F2NO — CID 176665638

IUPAC3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane
SMILESCC.CC(C)OC1CNCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-5(2)11-6-3-10-4-7(6,8)9;1-2/h5-6,10H,3-4H2,1-2H3;1-2H3
InChIKeyNIVWDRIJNCJOTI-UHFFFAOYSA-N
MW195.25 g/mol
LogP2.04
Rot. Bonds2

About 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane

3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane (PubChem CID 176665638) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane
PubChem CID176665638
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane
SMILESCC.CC(C)OC1CNCC1(F)F
InChIInChI=1S/C7H13F2NO.C2H6/c1-5(2)11-6-3-10-4-7(6,8)9;1-2/h5-6,10H,3-4H2,1-2H3;1-2H3
InChIKeyNIVWDRIJNCJOTI-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane?
The IUPAC name of 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane (CID 176665638) is 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane.
What is the SMILES notation for 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane?
The canonical SMILES for 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane is CC.CC(C)OC1CNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane?
The InChIKey is NIVWDRIJNCJOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO.C2H6/c1-5(2)11-6-3-10-4-7(6,8)9;1-2/h5-6,10H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane?
3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane has a molecular weight of 195.25 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-yloxypyrrolidine;ethane is sourced from PubChem (CID 176665638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).