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

C12H22F3NO2 — CID 107270740

IUPAC2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(4-3-5-12(13,14)15)16-8-11(17)6-7-18-10(11)2/h9-10,16-17H,3-8H2,1-2H3
InChIKeyLZZLHVBURDZYGR-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds6

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

2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol (PubChem CID 107270740) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
PubChem CID107270740
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(4-3-5-12(13,14)15)16-8-11(17)6-7-18-10(11)2/h9-10,16-17H,3-8H2,1-2H3
InChIKeyLZZLHVBURDZYGR-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol (CID 107270740) is 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol is CC(CCCC(F)(F)F)NCC1(O)CCOC1C.
What is the InChIKey of 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
The InChIKey is LZZLHVBURDZYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(4-3-5-12(13,14)15)16-8-11(17)6-7-18-10(11)2/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol?
2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6,6,6-trifluorohexan-2-ylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 107270740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).