3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine

C11H19F2NO — CID 126845128

IUPAC3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
SMILESCC1(C)C(COCC2CCNC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-3-4-14-5-8/h8-9,14H,3-7H2,1-2H3
InChIKeyHXXIOEUAFZQDKR-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.90
Rot. Bonds4

About 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine

3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine (PubChem CID 126845128) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
PubChem CID126845128
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC Name3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine
SMILESCC1(C)C(COCC2CCNC2)C1(F)F
InChIInChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-3-4-14-5-8/h8-9,14H,3-7H2,1-2H3
InChIKeyHXXIOEUAFZQDKR-UHFFFAOYSA-N
XLogP1.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The IUPAC name of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine (CID 126845128) is 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine.
What is the SMILES notation for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The canonical SMILES for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine is CC1(C)C(COCC2CCNC2)C1(F)F.
What is the InChIKey of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
The InChIKey is HXXIOEUAFZQDKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-10(2)9(11(10,12)13)7-15-6-8-3-4-14-5-8/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine?
3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine has a molecular weight of 219.27 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoro-3,3-dimethylcyclopropyl)methoxymethyl]pyrrolidine is sourced from PubChem (CID 126845128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).