3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol

C11H20F3NO2 — CID 104925234

IUPAC3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C11H20F3NO2/c1-9(3-2-4-11(12,13)14)15-7-10(16)5-6-17-8-10/h9,15-16H,2-8H2,1H3
InChIKeyDFICKPXQEXWTPD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds6

About 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol

3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 104925234) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
PubChem CID104925234
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCOC1
InChIInChI=1S/C11H20F3NO2/c1-9(3-2-4-11(12,13)14)15-7-10(16)5-6-17-8-10/h9,15-16H,2-8H2,1H3
InChIKeyDFICKPXQEXWTPD-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol (CID 104925234) is 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol is CC(CCCC(F)(F)F)NCC1(O)CCOC1.
What is the InChIKey of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is DFICKPXQEXWTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-9(3-2-4-11(12,13)14)15-7-10(16)5-6-17-8-10/h9,15-16H,2-8H2,1H3.
What are the key properties of 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 104925234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).