4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde

C11H19F2NO3 — CID 107486398

IUPAC4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)F)CCOCC1
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-14(3-4-15)8-11(9-16)1-5-17-6-2-11/h9-10,15H,1-8H2
InChIKeyKFDXIASILBIDMJ-UHFFFAOYSA-N
MW251.27 g/mol
LogP0.54
Rot. Bonds7

About 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde

4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde (PubChem CID 107486398) has the molecular formula C11H19F2NO3 and a molecular weight of 251.27 g/mol. Its IUPAC name is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde.

Molecular Properties

Compound Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
PubChem CID107486398
Molecular FormulaC11H19F2NO3
Molecular Weight251.27 g/mol
Exact Mass251.13
IUPAC Name4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
SMILESO=CC1(CN(CCO)CC(F)F)CCOCC1
InChIInChI=1S/C11H19F2NO3/c12-10(13)7-14(3-4-15)8-11(9-16)1-5-17-6-2-11/h9-10,15H,1-8H2
InChIKeyKFDXIASILBIDMJ-UHFFFAOYSA-N
XLogP0.54
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.27
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 55066230
4-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390393
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391271
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391446
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 62391448
4-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxane-4-carbaldehyde
CID 65532398
4-[[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carbaldehyde
CID 107486440
4-[[2,2-Difluoroethyl(methyl)amino]methyl]oxane-4-carbaldehyde
CID 116317513
4-[[Butyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 55066280
4-[[Cyclopentyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 55066377
4-[[2-Hydroxyethyl(propyl)amino]methyl]oxane-4-carbaldehyde
CID 62390397
4-[[Ethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde
CID 62390749

Frequently Asked Questions

What is the IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde?
The IUPAC name of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde (CID 107486398) is 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde.
What is the SMILES notation for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde?
The canonical SMILES for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde is O=CC1(CN(CCO)CC(F)F)CCOCC1.
What is the InChIKey of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde?
The InChIKey is KFDXIASILBIDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO3/c12-10(13)7-14(3-4-15)8-11(9-16)1-5-17-6-2-11/h9-10,15H,1-8H2.
What are the key properties of 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde?
4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde has a molecular weight of 251.27 g/mol, XLogP of 0.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]oxane-4-carbaldehyde is sourced from PubChem (CID 107486398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).