3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine

C17H15F5N2O — CID 156809838

IUPAC3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESNCC(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F
InChIInChI=1S/C17H15F5N2O/c18-6-10(7-23)14-5-12-13(17(20,21)22)8-25-16(12)15(24-14)9-1-3-11(19)4-2-9/h1-5,10,13H,6-8,23H2
InChIKeyFHFRMSNXYCXFQN-UHFFFAOYSA-N
MW358.31 g/mol
LogP3.94
Rot. Bonds4

About 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine

3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (PubChem CID 156809838) has the molecular formula C17H15F5N2O and a molecular weight of 358.31 g/mol. Its IUPAC name is 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
PubChem CID156809838
Molecular FormulaC17H15F5N2O
Molecular Weight358.31 g/mol
Exact Mass358.11
IUPAC Name3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESNCC(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F
InChIInChI=1S/C17H15F5N2O/c18-6-10(7-23)14-5-12-13(17(20,21)22)8-25-16(12)15(24-14)9-1-3-11(19)4-2-9/h1-5,10,13H,6-8,23H2
InChIKeyFHFRMSNXYCXFQN-UHFFFAOYSA-N
XLogP3.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine with MolForge

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Related Compounds

Barucainide
CID 146795
Ethanamine, 2-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dimethyl-, dihydrochloride
CID 3052096
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, hydrochloride (1:2)
CID 198513
1-Propanamine, 3-((6-ethyl-1,3-dihydro-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dimethyl-, dihydrochloride
CID 3052102
1-Propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihdyrochloride
CID 3052106
1-Propanamine, 3-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-dipropyl-, dihydrochloride
CID 3052108
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylethyl)-, dihydrochloride
CID 3052112
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-3-methyl-N-(1-methylethyl)-, dihydrochloride
CID 3052114
1-Pentanamine, 5-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N,N-diethyl-3-methyl-, dihydrochloride
CID 3052116
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-ethyl-,dihydrochloride
CID 3052118
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1-methylpropyl)-, dihydrochloride
CID 3052120
1-Butanamine, 4-((1,3-dihydro-6-methyl-4-(phenylmethyl)furo(3,4-c)pyridin-7-yl)oxy)-N-(1,1-dimethylethyl)-, dihydrochloride
CID 3052122

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The IUPAC name of 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (CID 156809838) is 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.
What is the SMILES notation for 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The canonical SMILES for 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is NCC(CF)c1cc2c(c(-c3ccc(F)cc3)n1)OCC2C(F)(F)F.
What is the InChIKey of 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The InChIKey is FHFRMSNXYCXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F5N2O/c18-6-10(7-23)14-5-12-13(17(20,21)22)8-25-16(12)15(24-14)9-1-3-11(19)4-2-9/h1-5,10,13H,6-8,23H2.
What are the key properties of 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine has a molecular weight of 358.31 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[7-(4-fluorophenyl)-3-(trifluoromethyl)-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is sourced from PubChem (CID 156809838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).