3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine

C14H14F3NO — CID 115607292

IUPAC3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)8-13(12-4-2-1-3-5-12)18-9-11-6-7-19-10-11/h1-7,10,13,18H,8-9H2
InChIKeyPRVCQFODGNYREU-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.06
Rot. Bonds5

About 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine

3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine (PubChem CID 115607292) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
PubChem CID115607292
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine
SMILESFC(F)(F)CC(NCc1ccoc1)c1ccccc1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)8-13(12-4-2-1-3-5-12)18-9-11-6-7-19-10-11/h1-7,10,13,18H,8-9H2
InChIKeyPRVCQFODGNYREU-UHFFFAOYSA-N
XLogP4.06
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine (CID 115607292) is 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine is FC(F)(F)CC(NCc1ccoc1)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine?
The InChIKey is PRVCQFODGNYREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)8-13(12-4-2-1-3-5-12)18-9-11-6-7-19-10-11/h1-7,10,13,18H,8-9H2.
What are the key properties of 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine?
3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine has a molecular weight of 269.27 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(furan-3-ylmethyl)-1-phenylpropan-1-amine is sourced from PubChem (CID 115607292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).