1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

C13H11F6NO — CID 103312315

IUPAC1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc2ccccc2o1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6NO/c1-20-10(11(12(14,15)16)13(17,18)19)9-6-7-4-2-3-5-8(7)21-9/h2-6,10-11,20H,1H3
InChIKeyJSHNKMZNQUPWDU-UHFFFAOYSA-N
MW311.23 g/mol
LogP4.43
Rot. Bonds3

About 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine

1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312315) has the molecular formula C13H11F6NO and a molecular weight of 311.23 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
PubChem CID103312315
Molecular FormulaC13H11F6NO
Molecular Weight311.23 g/mol
Exact Mass311.07
IUPAC Name1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
SMILESCNC(c1cc2ccccc2o1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H11F6NO/c1-20-10(11(12(14,15)16)13(17,18)19)9-6-7-4-2-3-5-8(7)21-9/h2-6,10-11,20H,1H3
InChIKeyJSHNKMZNQUPWDU-UHFFFAOYSA-N
XLogP4.43
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.23
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-N,2-dimethylbutan-1-amine
CID 79444773
1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274561
1-(1-benzofuran-2-yl)-N-methyl-2-phenylbutan-1-amine
CID 105044033
1-(1-benzofuran-2-yl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114731162
2-butan-2-yl-1-benzofuran
CID 12065919
1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
CID 61064024
1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
CID 61064663
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 114728050
1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-4,4,4-trifluorobutan-1-ol
CID 64566757

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine (CID 103312315) is 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is CNC(c1cc2ccccc2o1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
The InChIKey is JSHNKMZNQUPWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F6NO/c1-20-10(11(12(14,15)16)13(17,18)19)9-6-7-4-2-3-5-8(7)21-9/h2-6,10-11,20H,1H3.
What are the key properties of 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine?
1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine has a molecular weight of 311.23 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).