2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

C14H25F2NO2 — CID 107486375

IUPAC2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(CCO)CC(F)F)C1
InChIInChI=1S/C14H25F2NO2/c1-10(2)11-3-4-13(19)12(7-11)8-17(5-6-18)9-14(15)16/h10-12,14,18H,3-9H2,1-2H3
InChIKeyPRPYVAVKSAORDT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.19
Rot. Bonds7

About 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one

2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (PubChem CID 107486375) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
PubChem CID107486375
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
SMILESCC(C)C1CCC(=O)C(CN(CCO)CC(F)F)C1
InChIInChI=1S/C14H25F2NO2/c1-10(2)11-3-4-13(19)12(7-11)8-17(5-6-18)9-14(15)16/h10-12,14,18H,3-9H2,1-2H3
InChIKeyPRPYVAVKSAORDT-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 55106351
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611706
4-Propyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611707
4-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62611872
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62611873
4-Ethyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62613369
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62613370
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62704327
4-Propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-one
CID 62704514
2-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 65530656
4-Ethyl-2-[[methyl(3,3,3-trifluoropropyl)amino]methyl]cyclohexan-1-one
CID 65532400
2-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]-4-propylcyclohexan-1-one
CID 65532781

Frequently Asked Questions

What is the IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The IUPAC name of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one (CID 107486375) is 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one.
What is the SMILES notation for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The canonical SMILES for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is CC(C)C1CCC(=O)C(CN(CCO)CC(F)F)C1.
What is the InChIKey of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
The InChIKey is PRPYVAVKSAORDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-10(2)11-3-4-13(19)12(7-11)8-17(5-6-18)9-14(15)16/h10-12,14,18H,3-9H2,1-2H3.
What are the key properties of 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one?
2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one has a molecular weight of 277.35 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one is sourced from PubChem (CID 107486375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).