2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol

C10H18F3NO2 — CID 106101017

IUPAC2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(15,4-6-16-8)7-14-5-2-3-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIKKNHDSGZXQDHD-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.46
Rot. Bonds5

About 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol

2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol (PubChem CID 106101017) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
PubChem CID106101017
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO2/c1-8-9(15,4-6-16-8)7-14-5-2-3-10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyIKKNHDSGZXQDHD-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]oxan-4-ol
CID 81130704
3,3,3-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]propan-1-amine
CID 104760690
N-[(3-methoxyoxolan-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 104760767
4,4,4-trifluoro-N-[(3-methoxyoxolan-3-yl)methyl]butan-1-amine
CID 104760780
N-[(3-methoxyoxolan-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 104760899
1,1,1-Trifluoro-3-[(3-methoxyoxolan-3-yl)methylamino]propan-2-ol
CID 104761007
N-[(3-methoxyoxolan-3-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 104761012
3-[(6,6,6-Trifluorohexan-2-ylamino)methyl]oxolan-3-ol
CID 104925234
1,1,1-Trifluoro-3-[(2-methyloxolan-3-yl)methylamino]propan-2-ol
CID 105736042
3-[(1,1-Difluoropropan-2-ylamino)methyl]oxolan-3-ol
CID 106099939
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
2-Methyl-3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]oxolan-3-ol
CID 106100269

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol (CID 106101017) is 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNCCCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol?
The InChIKey is IKKNHDSGZXQDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-8-9(15,4-6-16-8)7-14-5-2-3-10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol?
2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol has a molecular weight of 241.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(4,4,4-trifluorobutylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106101017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).