bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride

C14H26Cl2F4N4 — CID 134128350

IUPACbis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CNC2)C1.FC1(F)CCN(C2CNC2)C1
InChIInChI=1S/2C7H12F2N2.2ClH/c2*8-7(9)1-2-11(5-7)6-3-10-4-6;;/h2*6,10H,1-5H2;2*1H
InChIKeyZIGJJGJKJXZUKK-UHFFFAOYSA-N
MW397.29 g/mol
LogP1.44
Rot. Bonds2

About bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride

bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride (PubChem CID 134128350) has the molecular formula C14H26Cl2F4N4 and a molecular weight of 397.29 g/mol. Its IUPAC name is bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride.

Molecular Properties

Compound Namebis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
PubChem CID134128350
Molecular FormulaC14H26Cl2F4N4
Molecular Weight397.29 g/mol
Exact Mass396.15
IUPAC Namebis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride
SMILESCl.Cl.FC1(F)CCN(C2CNC2)C1.FC1(F)CCN(C2CNC2)C1
InChIInChI=1S/2C7H12F2N2.2ClH/c2*8-7(9)1-2-11(5-7)6-3-10-4-6;;/h2*6,10H,1-5H2;2*1H
InChIKeyZIGJJGJKJXZUKK-UHFFFAOYSA-N
XLogP1.44
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,3-difluoropyrrolidin-1-yl)piperidine
CID 53488020
1-cyclohexyl-3,3-difluoropyrrolidine
CID 117007575
4,4-difluoro-1-pyrrolidin-3-ylpiperidine;dihydrochloride
CID 155895977
1-(azetidin-3-yl)-4-(3,3-difluorocyclobutyl)piperazine
CID 146013256
3,3-difluoro-1-[(3R)-1-methylpyrrolidin-3-yl]pyrrolidine
CID 156546245
2-(azetidin-3-yl)-8-oxa-2-azaspiro[4.5]decane
CID 130516058
3-(3,3-difluoropyrrolidin-1-yl)azetidine-1-carboxylic acid
CID 141284358
3-(3,3-difluoropyrrolidin-1-yl)thiolane 1,1-dioxide
CID 117007587
1-(azetidin-3-yl)-4-fluoropiperidine;hydrochloride
CID 75464903
3-(azetidin-3-yl)-3,9-diazaspiro[5.5]undecane
CID 169257836
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
2-(azetidin-3-yl)-2-azaspiro[3.5]nonane
CID 79678651

Frequently Asked Questions

What is the IUPAC name of bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride?
The IUPAC name of bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride (CID 134128350) is bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride.
What is the SMILES notation for bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride?
The canonical SMILES for bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride is Cl.Cl.FC1(F)CCN(C2CNC2)C1.FC1(F)CCN(C2CNC2)C1.
What is the InChIKey of bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride?
The InChIKey is ZIGJJGJKJXZUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H12F2N2.2ClH/c2*8-7(9)1-2-11(5-7)6-3-10-4-6;;/h2*6,10H,1-5H2;2*1H.
What are the key properties of bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride?
bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride has a molecular weight of 397.29 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(azetidin-3-yl)-3,3-difluoropyrrolidine);dihydrochloride is sourced from PubChem (CID 134128350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).