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

C10H20ClF2NO — CID 155821550

IUPAC2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride
SMILESCCOC(CN)C1CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-2-14-9(7-13)8-3-5-10(11,12)6-4-8;/h8-9H,2-7,13H2,1H3;1H
InChIKeyDTDNWJDPGXMENJ-UHFFFAOYSA-N
MW243.72 g/mol
LogP2.60
Rot. Bonds4

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

2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride (PubChem CID 155821550) has the molecular formula C10H20ClF2NO and a molecular weight of 243.72 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride
PubChem CID155821550
Molecular FormulaC10H20ClF2NO
Molecular Weight243.72 g/mol
Exact Mass243.12
IUPAC Name2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride
SMILESCCOC(CN)C1CCC(F)(F)CC1.Cl
InChIInChI=1S/C10H19F2NO.ClH/c1-2-14-9(7-13)8-3-5-10(11,12)6-4-8;/h8-9H,2-7,13H2,1H3;1H
InChIKeyDTDNWJDPGXMENJ-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 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride (CID 155821550) is 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride is CCOC(CN)C1CCC(F)(F)CC1.Cl.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride?
The InChIKey is DTDNWJDPGXMENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO.ClH/c1-2-14-9(7-13)8-3-5-10(11,12)6-4-8;/h8-9H,2-7,13H2,1H3;1H.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride?
2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;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 2-(4,4-difluorocyclohexyl)-2-ethoxyethanamine;hydrochloride is sourced from PubChem (CID 155821550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).