1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol

C10H18F3NO2 — CID 63901653

IUPAC1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCOCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-14(7-9(15)10(11,12)13)6-8-2-4-16-5-3-8/h8-9,15H,2-7H2,1H3
InChIKeyROZIVRIJGRPABD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.27
Rot. Bonds4

About 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol (PubChem CID 63901653) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
PubChem CID63901653
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol
SMILESCN(CC1CCOCC1)CC(O)C(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-14(7-9(15)10(11,12)13)6-8-2-4-16-5-3-8/h8-9,15H,2-7H2,1H3
InChIKeyROZIVRIJGRPABD-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol (CID 63901653) is 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol is CN(CC1CCOCC1)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol?
The InChIKey is ROZIVRIJGRPABD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-14(7-9(15)10(11,12)13)6-8-2-4-16-5-3-8/h8-9,15H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(oxan-4-ylmethyl)amino]propan-2-ol is sourced from PubChem (CID 63901653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).