5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

C18H14F4N2O2 — CID 172878977

IUPAC5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCc1ccc(C(NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)(F)F)cn1
InChIInChI=1S/C18H14F4N2O2/c1-8-2-3-9(7-23-8)16(18(20,21)22)24-17(25)14-13-11-6-10(19)4-5-12(11)26-15(13)14/h2-7,13-16H,1H3,(H,24,25)
InChIKeyURYKCRFRVKJVQM-UHFFFAOYSA-N
MW366.31 g/mol
LogP3.42
Rot. Bonds3

About 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (PubChem CID 172878977) has the molecular formula C18H14F4N2O2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
PubChem CID172878977
Molecular FormulaC18H14F4N2O2
Molecular Weight366.31 g/mol
Exact Mass366.10
IUPAC Name5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESCc1ccc(C(NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)(F)F)cn1
InChIInChI=1S/C18H14F4N2O2/c1-8-2-3-9(7-23-8)16(18(20,21)22)24-17(25)14-13-11-6-10(19)4-5-12(11)26-15(13)14/h2-7,13-16H,1H3,(H,24,25)
InChIKeyURYKCRFRVKJVQM-UHFFFAOYSA-N
XLogP3.42
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The IUPAC name of 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (CID 172878977) is 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is Cc1ccc(C(NC(=O)C2C3Oc4ccc(F)cc4C32)C(F)(F)F)cn1.
What is the InChIKey of 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The InChIKey is URYKCRFRVKJVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N2O2/c1-8-2-3-9(7-23-8)16(18(20,21)22)24-17(25)14-13-11-6-10(19)4-5-12(11)26-15(13)14/h2-7,13-16H,1H3,(H,24,25).
What are the key properties of 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide has a molecular weight of 366.31 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2,2,2-trifluoro-1-(6-methyl-3-pyridinyl)ethyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is sourced from PubChem (CID 172878977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).