(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride

C14H12ClF3NO2- — CID 10448613

IUPAC(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride
SMILESC[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12.[Cl-]
InChIInChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/p-1/t7-;/m1./s1
InChIKeyOOIFSTYDVQDIPJ-OGFXRTJISA-M
MW318.70 g/mol
LogP1.09
Rot. Bonds2

About (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride

(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride (PubChem CID 10448613) has the molecular formula C14H12ClF3NO2- and a molecular weight of 318.70 g/mol. Its IUPAC name is (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride.

Molecular Properties

Compound Name(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride
PubChem CID10448613
Molecular FormulaC14H12ClF3NO2-
Molecular Weight318.70 g/mol
Exact Mass318.05
IUPAC Name(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride
SMILESC[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12.[Cl-]
InChIInChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/p-1/t7-;/m1./s1
InChIKeyOOIFSTYDVQDIPJ-OGFXRTJISA-M
XLogP1.09
TPSA52.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.70
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride?
The IUPAC name of (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride (CID 10448613) is (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride.
What is the SMILES notation for (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride?
The canonical SMILES for (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride is C[C@@H](N)Cc1c2ccoc2c(C(F)(F)F)c2ccoc12.[Cl-].
What is the InChIKey of (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride?
The InChIKey is OOIFSTYDVQDIPJ-OGFXRTJISA-M. The full InChI is InChI=1S/C14H12F3NO2.ClH/c1-7(18)6-10-8-2-4-20-13(8)11(14(15,16)17)9-3-5-19-12(9)10;/h2-5,7H,6,18H2,1H3;1H/p-1/t7-;/m1./s1.
What are the key properties of (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride?
(2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride has a molecular weight of 318.70 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(trifluoromethyl)furo[2,3-f][1]benzofuran-8-yl]propan-2-amine chloride is sourced from PubChem (CID 10448613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).