4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol

C10H18F3NO3 — CID 115899447

IUPAC4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
SMILESCN(CC(O)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C10H18F3NO3/c1-14(6-8(15)10(11,12)13)7-9(16)2-4-17-5-3-9/h8,15-16H,2-7H2,1H3
InChIKeySKFQMFPXDPXZKT-UHFFFAOYSA-N
MW257.25 g/mol
LogP0.38
Rot. Bonds4

About 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol

4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol (PubChem CID 115899447) has the molecular formula C10H18F3NO3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
PubChem CID115899447
Molecular FormulaC10H18F3NO3
Molecular Weight257.25 g/mol
Exact Mass257.12
IUPAC Name4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol
SMILESCN(CC(O)C(F)(F)F)CC1(O)CCOCC1
InChIInChI=1S/C10H18F3NO3/c1-14(6-8(15)10(11,12)13)7-9(16)2-4-17-5-3-9/h8,15-16H,2-7H2,1H3
InChIKeySKFQMFPXDPXZKT-UHFFFAOYSA-N
XLogP0.38
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol (CID 115899447) is 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol is CN(CC(O)C(F)(F)F)CC1(O)CCOCC1.
What is the InChIKey of 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
The InChIKey is SKFQMFPXDPXZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO3/c1-14(6-8(15)10(11,12)13)7-9(16)2-4-17-5-3-9/h8,15-16H,2-7H2,1H3.
What are the key properties of 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol?
4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol has a molecular weight of 257.25 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxan-4-ol is sourced from PubChem (CID 115899447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).