2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine

C12H11F4NO — CID 168924203

IUPAC2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNCC(F)(c1ccc2occc2c1)C(F)(F)F
InChIInChI=1S/C12H11F4NO/c1-17-7-11(13,12(14,15)16)9-2-3-10-8(6-9)4-5-18-10/h2-6,17H,7H2,1H3
InChIKeyMNPRZHJSLBKGBA-UHFFFAOYSA-N
MW261.22 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine

2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine (PubChem CID 168924203) has the molecular formula C12H11F4NO and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
PubChem CID168924203
Molecular FormulaC12H11F4NO
Molecular Weight261.22 g/mol
Exact Mass261.08
IUPAC Name2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine
SMILESCNCC(F)(c1ccc2occc2c1)C(F)(F)F
InChIInChI=1S/C12H11F4NO/c1-17-7-11(13,12(14,15)16)9-2-3-10-8(6-9)4-5-18-10/h2-6,17H,7H2,1H3
InChIKeyMNPRZHJSLBKGBA-UHFFFAOYSA-N
XLogP3.38
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-benzofuran-5-yl)-2-fluoro-N-methylpentan-1-amine
CID 168924156
3-(1-benzofuran-5-yl)-4,4,4-trifluoro-N,3-dimethylbutan-2-amine
CID 166892409
3-(1-benzofuran-5-yl)-3-fluoro-N-methylpentan-2-amine
CID 163640119
2,3,3,3-tetrafluoro-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 84736788
2,3,3,3-tetrafluoro-N-methyl-2-phenylpropan-1-amine
CID 84735274
2-(1-benzofuran-5-yl)-N-methylethanamine
CID 168924293
2-(1-benzofuran-5-yl)-2-cyclopropylpropan-1-amine
CID 83835621
3-(1-benzofuran-5-yl)-4-chloro-3-methyl-2-(methylamino)butan-1-ol
CID 166892730
2-(1-benzofuran-5-yl)-1,1-dichloro-3-(methylamino)butan-2-ol
CID 166892525
3-(1-benzofuran-5-yl)-N-ethyl-3-methylhexan-2-amine
CID 166892377
2-(1-benzofuran-5-yl)-N-ethyl-2-methylpentan-1-amine;ruthenium(1+)
CID 168924316
3-(1-benzofuran-6-yl)-3,4,4-trifluoro-2-(methylamino)butan-1-ol
CID 166892359

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine?
The IUPAC name of 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine (CID 168924203) is 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine.
What is the SMILES notation for 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine?
The canonical SMILES for 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine is CNCC(F)(c1ccc2occc2c1)C(F)(F)F.
What is the InChIKey of 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine?
The InChIKey is MNPRZHJSLBKGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4NO/c1-17-7-11(13,12(14,15)16)9-2-3-10-8(6-9)4-5-18-10/h2-6,17H,7H2,1H3.
What are the key properties of 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine?
2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine has a molecular weight of 261.22 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-5-yl)-2,3,3,3-tetrafluoro-N-methylpropan-1-amine is sourced from PubChem (CID 168924203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).