4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride

C10H21Cl2FN2 — CID 142544407

IUPAC4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(N2CC(CF)C2)CC1
InChIInChI=1S/C10H19FN2.2ClH/c11-5-8-6-13(7-8)10-3-1-9(12)2-4-10;;/h8-10H,1-7,12H2;2*1H
InChIKeyXAAZWFGJRJCELE-UHFFFAOYSA-N
MW259.20 g/mol
LogP2.00
Rot. Bonds2

About 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride

4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride (PubChem CID 142544407) has the molecular formula C10H21Cl2FN2 and a molecular weight of 259.20 g/mol. Its IUPAC name is 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride.

Molecular Properties

Compound Name4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride
PubChem CID142544407
Molecular FormulaC10H21Cl2FN2
Molecular Weight259.20 g/mol
Exact Mass258.11
IUPAC Name4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride
SMILESCl.Cl.NC1CCC(N2CC(CF)C2)CC1
InChIInChI=1S/C10H19FN2.2ClH/c11-5-8-6-13(7-8)10-3-1-9(12)2-4-10;;/h8-10H,1-7,12H2;2*1H
InChIKeyXAAZWFGJRJCELE-UHFFFAOYSA-N
XLogP2.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride?
The IUPAC name of 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride (CID 142544407) is 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride.
What is the SMILES notation for 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride?
The canonical SMILES for 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride is Cl.Cl.NC1CCC(N2CC(CF)C2)CC1.
What is the InChIKey of 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride?
The InChIKey is XAAZWFGJRJCELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2.2ClH/c11-5-8-6-13(7-8)10-3-1-9(12)2-4-10;;/h8-10H,1-7,12H2;2*1H.
What are the key properties of 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride?
4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride has a molecular weight of 259.20 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(fluoromethyl)azetidin-1-yl]cyclohexan-1-amine;dihydrochloride is sourced from PubChem (CID 142544407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).