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

C9H16ClF2NO — CID 126845123

IUPAC2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC1COCC1CCCN1
InChIInChI=1S/C9H15F2NO.ClH/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8;/h7-8,12H,1-6H2;1H
InChIKeySXSWYUZKVKUBJP-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.83
Rot. Bonds4

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

2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride (PubChem CID 126845123) has the molecular formula C9H16ClF2NO and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride
PubChem CID126845123
Molecular FormulaC9H16ClF2NO
Molecular Weight227.68 g/mol
Exact Mass227.09
IUPAC Name2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC1COCC1CCCN1
InChIInChI=1S/C9H15F2NO.ClH/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8;/h7-8,12H,1-6H2;1H
InChIKeySXSWYUZKVKUBJP-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.83
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;hydrochloride?
The IUPAC name of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride (CID 126845123) is 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride.
What is the SMILES notation for 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride?
The canonical SMILES for 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride is Cl.FC1(F)CC1COCC1CCCN1.
What is the InChIKey of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride?
The InChIKey is SXSWYUZKVKUBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.ClH/c10-9(11)4-7(9)5-13-6-8-2-1-3-12-8;/h7-8,12H,1-6H2;1H.
What are the key properties of 2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride?
2-[(2,2-difluorocyclopropyl)methoxymethyl]pyrrolidine;hydrochloride has a molecular weight of 227.68 g/mol, XLogP of 1.83, 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;hydrochloride is sourced from PubChem (CID 126845123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).