2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride

C8H16ClF2N — CID 105452554

IUPAC2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride
SMILESCl.NCCC1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)4-1-7(2-5-8)3-6-11;/h7H,1-6,11H2;1H
InChIKeyXQHPADFCTSEISW-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.58
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride

2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride (PubChem CID 105452554) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride
PubChem CID105452554
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride
SMILESCl.NCCC1CCC(F)(F)CC1
InChIInChI=1S/C8H15F2N.ClH/c9-8(10)4-1-7(2-5-8)3-6-11;/h7H,1-6,11H2;1H
InChIKeyXQHPADFCTSEISW-UHFFFAOYSA-N
XLogP2.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride?
The IUPAC name of 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride (CID 105452554) is 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride is Cl.NCCC1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride?
The InChIKey is XQHPADFCTSEISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c9-8(10)4-1-7(2-5-8)3-6-11;/h7H,1-6,11H2;1H.
What are the key properties of 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride?
2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)ethanamine;hydrochloride is sourced from PubChem (CID 105452554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).