3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride

C7H12ClF2N — CID 126845674

IUPAC3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC1C1CCNC1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(7)5-1-2-10-4-5;/h5-6,10H,1-4H2;1H
InChIKeyDFIWAGBCDSTUOS-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.67
Rot. Bonds1

About 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride

3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride (PubChem CID 126845674) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
PubChem CID126845674
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
SMILESCl.FC1(F)CC1C1CCNC1
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-6(7)5-1-2-10-4-5;/h5-6,10H,1-4H2;1H
InChIKeyDFIWAGBCDSTUOS-UHFFFAOYSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride (CID 126845674) is 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride is Cl.FC1(F)CC1C1CCNC1.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride?
The InChIKey is DFIWAGBCDSTUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)3-6(7)5-1-2-10-4-5;/h5-6,10H,1-4H2;1H.
What are the key properties of 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride?
3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 126845674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).