1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol

C11H23F2NO3 — CID 107483861

IUPAC1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NO3/c1-2-3-6-17-9-10(16)7-14(4-5-15)8-11(12)13/h10-11,15-16H,2-9H2,1H3
InChIKeyWBAUWHTXAWFJSW-UHFFFAOYSA-N
MW255.30 g/mol
LogP0.72
Rot. Bonds11

About 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol

1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol (PubChem CID 107483861) has the molecular formula C11H23F2NO3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
PubChem CID107483861
Molecular FormulaC11H23F2NO3
Molecular Weight255.30 g/mol
Exact Mass255.16
IUPAC Name1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol
SMILESCCCCOCC(O)CN(CCO)CC(F)F
InChIInChI=1S/C11H23F2NO3/c1-2-3-6-17-9-10(16)7-14(4-5-15)8-11(12)13/h10-11,15-16H,2-9H2,1H3
InChIKeyWBAUWHTXAWFJSW-UHFFFAOYSA-N
XLogP0.72
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol 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

1-butoxy-3-[2-hydroxyethyl(propyl)amino]propan-2-ol
CID 107263779
1-[6-[bis(3-dodecoxy-2-hydroxypropyl)amino]hexyl-(3-dodecoxy-2-hydroxypropyl)amino]-3-dodecoxypropan-2-ol
CID 170444415
1-[bis(2-hydroxyethyl)amino]-3-ethoxypropan-2-ol
CID 63932330
1-[bis(3-methylbutyl)amino]-3-butoxypropan-2-ol
CID 107870717
1-[bis(2-methoxyethyl)amino]-3-butoxypropan-2-ol
CID 107263774
(2R)-1-butoxybutan-2-ol
CID 27255938
1-[2-hydroxyethyl(methyl)amino]-3-tetradecoxypropan-2-ol
CID 19694651
(2R)-1-butoxy-3-methoxypropan-2-ol
CID 89035731
(2R)-1-[[(2S)-3-butoxy-2-hydroxypropyl]-(2-hydroxyethyl)amino]-3-indol-1-ylpropan-2-ol
CID 29164290
1-[bis(2-hydroxyethyl)amino]-3-(2-methylsulfanylethoxy)propan-2-ol
CID 156568864
2-[[(2R)-3-butoxy-2-hydroxypropyl]-(carboxymethyl)amino]acetic acid
CID 124630639
butyl 2-[2,2-difluoroethyl(2-hydroxyethyl)amino]acetate
CID 107480814

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The IUPAC name of 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol (CID 107483861) is 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol is CCCCOCC(O)CN(CCO)CC(F)F.
What is the InChIKey of 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
The InChIKey is WBAUWHTXAWFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F2NO3/c1-2-3-6-17-9-10(16)7-14(4-5-15)8-11(12)13/h10-11,15-16H,2-9H2,1H3.
What are the key properties of 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol?
1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol has a molecular weight of 255.30 g/mol, XLogP of 0.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[2,2-difluoroethyl(2-hydroxyethyl)amino]propan-2-ol is sourced from PubChem (CID 107483861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).