1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride

C6H9ClF2N2 — CID 170918508

IUPAC1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(CN)CC(F)(F)C1
InChIInChI=1S/C6H8F2N2.ClH/c7-6(8)1-5(2-6,3-9)4-10;/h1-3,9H2;1H
InChIKeyCTMDQOXTWRAGRN-UHFFFAOYSA-N
MW182.60 g/mol
LogP1.31
Rot. Bonds1

About 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride

1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride (PubChem CID 170918508) has the molecular formula C6H9ClF2N2 and a molecular weight of 182.60 g/mol. Its IUPAC name is 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride
PubChem CID170918508
Molecular FormulaC6H9ClF2N2
Molecular Weight182.60 g/mol
Exact Mass182.04
IUPAC Name1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(CN)CC(F)(F)C1
InChIInChI=1S/C6H8F2N2.ClH/c7-6(8)1-5(2-6,3-9)4-10;/h1-3,9H2;1H
InChIKeyCTMDQOXTWRAGRN-UHFFFAOYSA-N
XLogP1.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.60
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride?
The IUPAC name of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride (CID 170918508) is 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride is Cl.N#CC1(CN)CC(F)(F)C1.
What is the InChIKey of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride?
The InChIKey is CTMDQOXTWRAGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2.ClH/c7-6(8)1-5(2-6,3-9)4-10;/h1-3,9H2;1H.
What are the key properties of 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride?
1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride has a molecular weight of 182.60 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-3,3-difluorocyclobutane-1-carbonitrile;hydrochloride is sourced from PubChem (CID 170918508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).