3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine

C10H14F3NO — CID 63947981

IUPAC3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-2-4-14-9(6-10(11,12)13)8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyHCUDRTBJXCQDNY-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.27
Rot. Bonds5

About 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine

3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine (PubChem CID 63947981) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine
PubChem CID63947981
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine
SMILESCCCNC(CC(F)(F)F)c1ccoc1
InChIInChI=1S/C10H14F3NO/c1-2-4-14-9(6-10(11,12)13)8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3
InChIKeyHCUDRTBJXCQDNY-UHFFFAOYSA-N
XLogP3.27
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.27
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-1-(furan-3-yl)-N-propylpropan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine (CID 63947981) is 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine is CCCNC(CC(F)(F)F)c1ccoc1.
What is the InChIKey of 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine?
The InChIKey is HCUDRTBJXCQDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-2-4-14-9(6-10(11,12)13)8-3-5-15-7-8/h3,5,7,9,14H,2,4,6H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine?
3,3,3-trifluoro-1-(furan-3-yl)-N-propylpropan-1-amine has a molecular weight of 221.22 g/mol, XLogP of 3.27, 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-1-(furan-3-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 63947981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).