N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride

C8H16ClF2N — CID 146049685

IUPACN-(2,2-difluoroethyl)cyclohexanamine;hydrochloride
SMILESCl.FC(F)CNC1CCCCC1
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h7-8,11H,1-6H2;1H
InChIKeyRGNVXJSPVMDFEN-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.60
Rot. Bonds3

About N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride

N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride (PubChem CID 146049685) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)cyclohexanamine;hydrochloride
PubChem CID146049685
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC NameN-(2,2-difluoroethyl)cyclohexanamine;hydrochloride
SMILESCl.FC(F)CNC1CCCCC1
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h7-8,11H,1-6H2;1H
InChIKeyRGNVXJSPVMDFEN-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride?
The IUPAC name of N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride (CID 146049685) is N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride.
What is the SMILES notation for N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride?
The canonical SMILES for N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride is Cl.FC(F)CNC1CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride?
The InChIKey is RGNVXJSPVMDFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c9-8(10)6-11-7-4-2-1-3-5-7;/h7-8,11H,1-6H2;1H.
What are the key properties of N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride?
N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)cyclohexanamine;hydrochloride is sourced from PubChem (CID 146049685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).