2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol

C12H25F2NO3 — CID 167253727

IUPAC2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
SMILESCC(C)(C)NCCC(F)(F)COCCOCCO
InChIInChI=1S/C12H25F2NO3/c1-11(2,3)15-5-4-12(13,14)10-18-9-8-17-7-6-16/h15-16H,4-10H2,1-3H3
InChIKeyJJDRBFGRYHEMKL-UHFFFAOYSA-N
MW269.33 g/mol
LogP1.43
Rot. Bonds10

About 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol

2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol (PubChem CID 167253727) has the molecular formula C12H25F2NO3 and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
PubChem CID167253727
Molecular FormulaC12H25F2NO3
Molecular Weight269.33 g/mol
Exact Mass269.18
IUPAC Name2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol
SMILESCC(C)(C)NCCC(F)(F)COCCOCCO
InChIInChI=1S/C12H25F2NO3/c1-11(2,3)15-5-4-12(13,14)10-18-9-8-17-7-6-16/h15-16H,4-10H2,1-3H3
InChIKeyJJDRBFGRYHEMKL-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol 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-[3-(tert-butylamino)propoxy]ethanol
CID 150900173
2-(2,2,4,4,4-pentafluorobutoxy)ethanol
CID 168876131
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
CID 161286345
2-[2-[(1-methoxy-2-methylpropan-2-yl)amino]ethoxy]ethanol
CID 115643011
2-[2-[2-[2-(2-methylpentadecan-2-ylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 138401408
1-[2-(2-hydroxyethoxy)ethoxy]-2-[[2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]propan-2-yl]amino]propan-2-ol
CID 87314889
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl]carbamic acid
CID 87536176
N-[2-[3-[2-[2-(tert-butylamino)ethoxy]ethoxy]propoxy]ethyl]-2-methylpropan-2-amine
CID 129102277
N-tert-butyl-4-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958390
ethane;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 159638520
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol (CID 167253727) is 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol is CC(C)(C)NCCC(F)(F)COCCOCCO.
What is the InChIKey of 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol?
The InChIKey is JJDRBFGRYHEMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F2NO3/c1-11(2,3)15-5-4-12(13,14)10-18-9-8-17-7-6-16/h15-16H,4-10H2,1-3H3.
What are the key properties of 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol?
2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol has a molecular weight of 269.33 g/mol, XLogP of 1.43, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(tert-butylamino)-2,2-difluorobutoxy]ethoxy]ethanol is sourced from PubChem (CID 167253727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).