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

C17H16F4N2O — CID 148974588

IUPAC3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESCC1COc2c1cc(C(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O/c1-9-8-24-16-12(9)6-14(13(7-22)17(19,20)21)23-15(16)10-2-4-11(18)5-3-10/h2-6,9,13H,7-8,22H2,1H3
InChIKeyPUNXNUDUFNXFHW-UHFFFAOYSA-N
MW340.32 g/mol
LogP3.99
Rot. Bonds3

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

3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (PubChem CID 148974588) has the molecular formula C17H16F4N2O and a molecular weight of 340.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
PubChem CID148974588
Molecular FormulaC17H16F4N2O
Molecular Weight340.32 g/mol
Exact Mass340.12
IUPAC Name3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine
SMILESCC1COc2c1cc(C(CN)C(F)(F)F)nc2-c1ccc(F)cc1
InChIInChI=1S/C17H16F4N2O/c1-9-8-24-16-12(9)6-14(13(7-22)17(19,20)21)23-15(16)10-2-4-11(18)5-3-10/h2-6,9,13H,7-8,22H2,1H3
InChIKeyPUNXNUDUFNXFHW-UHFFFAOYSA-N
XLogP3.99
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine (CID 148974588) is 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is CC1COc2c1cc(C(CN)C(F)(F)F)nc2-c1ccc(F)cc1.
What is the InChIKey of 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
The InChIKey is PUNXNUDUFNXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N2O/c1-9-8-24-16-12(9)6-14(13(7-22)17(19,20)21)23-15(16)10-2-4-11(18)5-3-10/h2-6,9,13H,7-8,22H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine?
3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine has a molecular weight of 340.32 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[7-(4-fluorophenyl)-3-methyl-2,3-dihydrofuro[2,3-c]pyridin-5-yl]propan-1-amine is sourced from PubChem (CID 148974588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).