4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol

C8H14F3NO2 — CID 81130528

IUPAC4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol
SMILESOC1(CNCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-12-5-7(13)1-3-14-4-2-7/h12-13H,1-6H2
InChIKeySODKWRVSZWVMKJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds3

About 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol

4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol (PubChem CID 81130528) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol
PubChem CID81130528
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol
SMILESOC1(CNCC(F)(F)F)CCOCC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-12-5-7(13)1-3-14-4-2-7/h12-13H,1-6H2
InChIKeySODKWRVSZWVMKJ-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol?
The IUPAC name of 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol (CID 81130528) is 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol.
What is the SMILES notation for 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol?
The canonical SMILES for 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol is OC1(CNCC(F)(F)F)CCOCC1.
What is the InChIKey of 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol?
The InChIKey is SODKWRVSZWVMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)6-12-5-7(13)1-3-14-4-2-7/h12-13H,1-6H2.
What are the key properties of 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol?
4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2,2-trifluoroethylamino)methyl]oxan-4-ol is sourced from PubChem (CID 81130528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).