1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol

C12H23F2NO2 — CID 114225407

IUPAC1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H23F2NO2/c1-17-6-5-15-9-11(16)7-10-3-2-4-12(13,14)8-10/h10-11,15-16H,2-9H2,1H3
InChIKeyUJJYACAIPSTCDV-UHFFFAOYSA-N
MW251.32 g/mol
LogP1.80
Rot. Bonds7

About 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol

1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 114225407) has the molecular formula C12H23F2NO2 and a molecular weight of 251.32 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID114225407
Molecular FormulaC12H23F2NO2
Molecular Weight251.32 g/mol
Exact Mass251.17
IUPAC Name1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CC1CCCC(F)(F)C1
InChIInChI=1S/C12H23F2NO2/c1-17-6-5-15-9-11(16)7-10-3-2-4-12(13,14)8-10/h10-11,15-16H,2-9H2,1H3
InChIKeyUJJYACAIPSTCDV-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-Cyclohexyl-2-(methylamino)ethan-1-ol
CID 89518
(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
6-(Ethylaminomethyl)-2,3-difluoro-2,5-dimethyloxan-4-ol
CID 91490285
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
1-(2-Ethylcyclohexyl)oxy-3-(2,2,2-trifluoroethylamino)propan-2-ol
CID 60632510
1-(2-Methylcyclohexyl)oxy-3-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-2-ol
CID 60729530
[2-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046016
2-Cyclohexyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046571
1-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]cyclohexan-1-ol
CID 61518643
[1-[2-(2,2,2-Trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 62522218
[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclohexyl]methanol
CID 62552518

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol (CID 114225407) is 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CC1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is UJJYACAIPSTCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO2/c1-17-6-5-15-9-11(16)7-10-3-2-4-12(13,14)8-10/h10-11,15-16H,2-9H2,1H3.
What are the key properties of 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol?
1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 251.32 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 114225407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).