1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

C16H21F4N — CID 105105078

IUPAC1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21F4N/c1-2-21-15(11-5-7-16(19,20)8-6-11)10-12-9-13(17)3-4-14(12)18/h3-4,9,11,15,21H,2,5-8,10H2,1H3
InChIKeyDWWUDPIQNQUVIK-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.31
Rot. Bonds5

About 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine

1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (PubChem CID 105105078) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
PubChem CID105105078
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1cc(F)ccc1F)C1CCC(F)(F)CC1
InChIInChI=1S/C16H21F4N/c1-2-21-15(11-5-7-16(19,20)8-6-11)10-12-9-13(17)3-4-14(12)18/h3-4,9,11,15,21H,2,5-8,10H2,1H3
InChIKeyDWWUDPIQNQUVIK-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclopentyl)-N-ethylethanamine
CID 107187954
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
2-(2,5-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-ethylethanamine
CID 107187957
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
CID 62600408
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine (CID 105105078) is 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is CCNC(Cc1cc(F)ccc1F)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
The InChIKey is DWWUDPIQNQUVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-2-21-15(11-5-7-16(19,20)8-6-11)10-12-9-13(17)3-4-14(12)18/h3-4,9,11,15,21H,2,5-8,10H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine?
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine has a molecular weight of 303.34 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine is sourced from PubChem (CID 105105078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).