1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine

C12H23F2NO — CID 105165065

IUPAC1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO/c1-3-15-11(9-16-4-2)10-5-7-12(13,14)8-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeyPZDXPEUSAJMXKF-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.83
Rot. Bonds6

About 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine

1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine (PubChem CID 105165065) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
PubChem CID105165065
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine
SMILESCCNC(COCC)C1CCC(F)(F)CC1
InChIInChI=1S/C12H23F2NO/c1-3-15-11(9-16-4-2)10-5-7-12(13,14)8-6-10/h10-11,15H,3-9H2,1-2H3
InChIKeyPZDXPEUSAJMXKF-UHFFFAOYSA-N
XLogP2.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,4-difluorocyclohexyl)-N-ethyl-2-methoxyethanamine
CID 105165589
2-cyclopropyl-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105152813
1-(4-tert-butylcyclohexyl)-2-ethoxy-N-ethylethanamine
CID 79574193
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-propoxyethanamine
CID 79573964
1-(4,4-difluorocyclohexyl)-N-ethylhex-5-en-1-amine
CID 105153076
1-(4,4-difluorocyclohexyl)-N,3-diethylheptan-1-amine
CID 105102951
1-cyclohexyl-N-ethyl-2-[2-(2-methylpropoxy)ethoxy]ethanamine
CID 106447381
2-(2,6-dichlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105122810
1-cyclopentyl-N-ethyl-2-propan-2-yloxyethanamine
CID 79574827
2-butoxy-1-cyclopentyl-N-ethylethanamine
CID 104749090
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
1-cyclopropyl-2-(4,4-dimethylcyclohexyl)oxy-N-ethylethanamine
CID 114340882

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine (CID 105165065) is 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine is CCNC(COCC)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine?
The InChIKey is PZDXPEUSAJMXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-3-15-11(9-16-4-2)10-5-7-12(13,14)8-6-10/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine?
1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine has a molecular weight of 235.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-ethoxy-N-ethylethanamine is sourced from PubChem (CID 105165065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).