3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride

C6H15Cl2FN2 — CID 137331813

IUPAC3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCN1CC(F)C1
InChIInChI=1S/C6H13FN2.2ClH/c7-6-4-9(5-6)3-1-2-8;;/h6H,1-5,8H2;2*1H
InChIKeyJKCFPGOLHAJJOR-UHFFFAOYSA-N
MW205.10 g/mol
LogP0.83
Rot. Bonds3

About 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride

3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride (PubChem CID 137331813) has the molecular formula C6H15Cl2FN2 and a molecular weight of 205.10 g/mol. Its IUPAC name is 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride.

Molecular Properties

Compound Name3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
PubChem CID137331813
Molecular FormulaC6H15Cl2FN2
Molecular Weight205.10 g/mol
Exact Mass204.06
IUPAC Name3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride
SMILESCl.Cl.NCCCN1CC(F)C1
InChIInChI=1S/C6H13FN2.2ClH/c7-6-4-9(5-6)3-1-2-8;;/h6H,1-5,8H2;2*1H
InChIKeyJKCFPGOLHAJJOR-UHFFFAOYSA-N
XLogP0.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.10
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3S)-3-fluoropyrrolidin-1-yl]pentan-1-amine;dihydrochloride
CID 45156784
3-[3-(fluoromethyl)azetidin-1-yl]propan-1-amine
CID 121201628
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
3-(6-oxa-3-azabicyclo[3.1.1]heptan-3-yl)propan-1-amine
CID 84763751
3-(3,4-dimethoxypyrrolidin-1-yl)propan-1-amine
CID 103531206
2-[(3S)-3-fluoropyrrolidin-1-yl]ethanamine
CID 67408508
2-[1-(3-aminopropyl)azetidin-3-yl]acetic acid
CID 64618110
3-[4-(3-aminopropyl)-2,2,3,3,5,5,6,6-octadeuteriopiperazin-1-yl]propan-1-amine
CID 131674238
1-(3-fluoropropyl)azetidin-3-amine
CID 81113645
ethane;1-ethyl-3-fluoroazetidine
CID 145180834
(3S)-1-(3-aminopropyl)piperidin-3-ol
CID 7183117
3-[3-[(4-chlorophenyl)methyl]azetidin-1-yl]propan-1-amine
CID 69409123

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride?
The IUPAC name of 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride (CID 137331813) is 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride.
What is the SMILES notation for 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride?
The canonical SMILES for 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride is Cl.Cl.NCCCN1CC(F)C1.
What is the InChIKey of 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride?
The InChIKey is JKCFPGOLHAJJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2.2ClH/c7-6-4-9(5-6)3-1-2-8;;/h6H,1-5,8H2;2*1H.
What are the key properties of 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride?
3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride has a molecular weight of 205.10 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoroazetidin-1-yl)propan-1-amine;dihydrochloride is sourced from PubChem (CID 137331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).