1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol

C10H18F3NO2 — CID 115890636

IUPAC1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
SMILESCC(CC(F)(F)F)NCC(O)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-7(4-10(11,12)13)14-5-9(15)8-2-3-16-6-8/h7-9,14-15H,2-6H2,1H3
InChIKeyBIBVOCOKUFQCJW-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.31
Rot. Bonds5

About 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol

1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol (PubChem CID 115890636) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
PubChem CID115890636
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol
SMILESCC(CC(F)(F)F)NCC(O)C1CCOC1
InChIInChI=1S/C10H18F3NO2/c1-7(4-10(11,12)13)14-5-9(15)8-2-3-16-6-8/h7-9,14-15H,2-6H2,1H3
InChIKeyBIBVOCOKUFQCJW-UHFFFAOYSA-N
XLogP1.31
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(Methylamino)-1-(oxolan-3-yl)ethan-1-olhydrochloride
CID 165664422
5-(Methoxymethyl)-4-(trifluoromethyl)pyrrolidin-3-ol
CID 138468286
1,1,1-Trifluoro-3-[2-(oxolan-3-yl)ethylamino]propan-2-ol
CID 102671693
1,1-Difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol
CID 103787898
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752580
2-[Ethyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752601
2-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752603
1-(Oxolan-3-yl)-2-[propyl(2,2,2-trifluoroethyl)amino]ethanol
CID 104752605
2-[Methyl(3,3,3-trifluoropropyl)amino]-1-(oxolan-3-yl)ethanol
CID 104752972
1,1,1-Trifluoro-3-[(2-methyloxolan-3-yl)methylamino]propan-2-ol
CID 105736042
3,3,3-Trifluoro-2-methyl-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 106523417
1-(Oxolan-3-yl)-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 113449104

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol?
The IUPAC name of 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol (CID 115890636) is 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol.
What is the SMILES notation for 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol?
The canonical SMILES for 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol is CC(CC(F)(F)F)NCC(O)C1CCOC1.
What is the InChIKey of 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol?
The InChIKey is BIBVOCOKUFQCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-7(4-10(11,12)13)14-5-9(15)8-2-3-16-6-8/h7-9,14-15H,2-6H2,1H3.
What are the key properties of 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol?
1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol has a molecular weight of 241.25 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-yl)-2-(4,4,4-trifluorobutan-2-ylamino)ethanol is sourced from PubChem (CID 115890636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).