3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol

C14H16F3NO2 — CID 114733018

IUPAC3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1cc2cc(C)ccc2o1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-3-11(18)13(19,14(15,16)17)12-7-9-6-8(2)4-5-10(9)20-12/h4-7,11,19H,3,18H2,1-2H3
InChIKeyZUQSJZPBVPDHCP-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.23
Rot. Bonds3

About 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol

3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol (PubChem CID 114733018) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
PubChem CID114733018
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol
SMILESCCC(N)C(O)(c1cc2cc(C)ccc2o1)C(F)(F)F
InChIInChI=1S/C14H16F3NO2/c1-3-11(18)13(19,14(15,16)17)12-7-9-6-8(2)4-5-10(9)20-12/h4-7,11,19H,3,18H2,1-2H3
InChIKeyZUQSJZPBVPDHCP-UHFFFAOYSA-N
XLogP3.23
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-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

1-(5-methyl-1-benzofuran-2-yl)propan-1-amine
CID 65440376
1-(3-fluorophenyl)-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114872398
3-chloro-1-(5-methyl-1-benzofuran-2-yl)-1-phenylpropan-1-ol
CID 114724921
2-(5-methyl-1-benzofuran-2-yl)-4-(propan-2-ylamino)butan-2-ol
CID 114735149
3-amino-1,1,1-trifluoro-2-pyridin-4-ylpentan-2-ol
CID 63680404
1-(5-methyl-1-benzofuran-2-yl)-2-methylsulfanylethanamine
CID 114728409
[2-ethyl-1-(5-methyl-1-benzofuran-2-yl)butyl]hydrazine
CID 105324027
5,5,5-trifluoro-1-(5-methyl-1-benzofuran-2-yl)pentan-1-ol
CID 105120593
1-cyclohexyl-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114795009
ethyl 2-(5-chloro-1-benzofuran-2-yl)-2,2-difluoroacetate
CID 114732688
[2-ethoxy-1-(5-methyl-1-benzofuran-2-yl)ethyl]hydrazine
CID 105235203
ethyl 3-methyl-2-(5-methyl-1-benzofuran-2-yl)butanoate
CID 114732654

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol (CID 114733018) is 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol is CCC(N)C(O)(c1cc2cc(C)ccc2o1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol?
The InChIKey is ZUQSJZPBVPDHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-3-11(18)13(19,14(15,16)17)12-7-9-6-8(2)4-5-10(9)20-12/h4-7,11,19H,3,18H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol?
3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol has a molecular weight of 287.28 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-(5-methyl-1-benzofuran-2-yl)pentan-2-ol is sourced from PubChem (CID 114733018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).