[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride

C8H14ClF2N — CID 155943612

IUPAC[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride
SMILESCC(F)(F)C12CC(CN)(C1)C2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-6(9,10)8-2-7(3-8,4-8)5-11;/h2-5,11H2,1H3;1H
InChIKeyTXGXTOYSJNYFHV-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.19
Rot. Bonds2

About [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride

[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride (PubChem CID 155943612) has the molecular formula C8H14ClF2N and a molecular weight of 197.66 g/mol. Its IUPAC name is [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride
PubChem CID155943612
Molecular FormulaC8H14ClF2N
Molecular Weight197.66 g/mol
Exact Mass197.08
IUPAC Name[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride
SMILESCC(F)(F)C12CC(CN)(C1)C2.Cl
InChIInChI=1S/C8H13F2N.ClH/c1-6(9,10)8-2-7(3-8,4-8)5-11;/h2-5,11H2,1H3;1H
InChIKeyTXGXTOYSJNYFHV-UHFFFAOYSA-N
XLogP2.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride?
The IUPAC name of [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride (CID 155943612) is [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride.
What is the SMILES notation for [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride?
The canonical SMILES for [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride is CC(F)(F)C12CC(CN)(C1)C2.Cl.
What is the InChIKey of [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride?
The InChIKey is TXGXTOYSJNYFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N.ClH/c1-6(9,10)8-2-7(3-8,4-8)5-11;/h2-5,11H2,1H3;1H.
What are the key properties of [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride?
[3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride has a molecular weight of 197.66 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1,1-difluoroethyl)-1-bicyclo[1.1.1]pentanyl]methanamine;hydrochloride is sourced from PubChem (CID 155943612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).