[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride

C10H20ClF2NO — CID 91658644

IUPAC[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride
SMILESCOCCC1(CN)CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9;/h2-8,13H2,1H3;1H
InChIKeyFZSPGFIDBDZDDL-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.60
Rot. Bonds4

About [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride

[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride (PubChem CID 91658644) has the molecular formula C10H20ClF2NO and a molecular weight of 243.72 g/mol. Its IUPAC name is [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride
PubChem CID91658644
Molecular FormulaC10H20ClF2NO
Molecular Weight243.72 g/mol
Exact Mass243.12
IUPAC Name[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride
SMILESCOCCC1(CN)CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9;/h2-8,13H2,1H3;1H
InChIKeyFZSPGFIDBDZDDL-UHFFFAOYSA-N
XLogP2.60
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.72
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride?
The IUPAC name of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride (CID 91658644) is [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride.
What is the SMILES notation for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride?
The canonical SMILES for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride is COCCC1(CN)CCC(F)(F)CC1.Cl.
What is the InChIKey of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride?
The InChIKey is FZSPGFIDBDZDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO.ClH/c1-14-7-6-9(8-13)2-4-10(11,12)5-3-9;/h2-8,13H2,1H3;1H.
What are the key properties of [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride?
[4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride has a molecular weight of 243.72 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-difluoro-1-(2-methoxyethyl)cyclohexyl]methanamine;hydrochloride is sourced from PubChem (CID 91658644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).