2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine

C9H15F2NO — CID 126845124

IUPAC2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine
SMILESFC1(F)CC1COCC1CCCN1
InChIInChI=1S/C9H15F2NO/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8/h7-8,12H,1-6H2
InChIKeySTXPUNDVEUIMKE-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.41
Rot. Bonds4

About 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine

2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine (PubChem CID 126845124) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine
PubChem CID126845124
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine
SMILESFC1(F)CC1COCC1CCCN1
InChIInChI=1S/C9H15F2NO/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8/h7-8,12H,1-6H2
InChIKeySTXPUNDVEUIMKE-UHFFFAOYSA-N
XLogP1.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine?
The IUPAC name of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine (CID 126845124) is 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine is FC1(F)CC1COCC1CCCN1.
What is the InChIKey of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine?
The InChIKey is STXPUNDVEUIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8/h7-8,12H,1-6H2.
What are the key properties of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine?
2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine has a molecular weight of 191.22 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 126845124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).