cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C17H19F4NO2 — CID 143725137

IUPACcis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)(C[C@]1(C(F)(F)F)C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C17H19F4NO2/c1-15(2,8-16(17(19,20)21)7-12(16)14(22)23)11-6-10(18)5-9-3-4-24-13(9)11/h5-6,12H,3-4,7-8H2,1-2H3,(H2,22,23)/t12-,16-/m1/s1
InChIKeyKGSHUIDUCZJPAL-MLGOLLRUSA-N
MW345.34 g/mol
LogP3.48
Rot. Bonds4

About cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 143725137) has the molecular formula C17H19F4NO2 and a molecular weight of 345.34 g/mol. Its IUPAC name is cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID143725137
Molecular FormulaC17H19F4NO2
Molecular Weight345.34 g/mol
Exact Mass345.14
IUPAC Namecis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)(C[C@]1(C(F)(F)F)C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2
InChIInChI=1S/C17H19F4NO2/c1-15(2,8-16(17(19,20)21)7-12(16)14(22)23)11-6-10(18)5-9-3-4-24-13(9)11/h5-6,12H,3-4,7-8H2,1-2H3,(H2,22,23)/t12-,16-/m1/s1
InChIKeyKGSHUIDUCZJPAL-MLGOLLRUSA-N
XLogP3.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.34
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 143725137) is cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)(C[C@]1(C(F)(F)F)C[C@@H]1C(N)=O)c1cc(F)cc2c1OCC2.
What is the InChIKey of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is KGSHUIDUCZJPAL-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H19F4NO2/c1-15(2,8-16(17(19,20)21)7-12(16)14(22)23)11-6-10(18)5-9-3-4-24-13(9)11/h5-6,12H,3-4,7-8H2,1-2H3,(H2,22,23)/t12-,16-/m1/s1.
What are the key properties of cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 345.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[2-(5-fluoro-2,3-dihydro-1-benzofuran-7-yl)-2-methylpropyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 143725137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).