4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine

C11H16F3NO — CID 64565172

IUPAC4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C11H16F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3
InChIKeyFJNQIOKDSLDZGC-UHFFFAOYSA-N
MW235.25 g/mol
LogP3.66
Rot. Bonds6

About 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine

4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine (PubChem CID 64565172) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine
PubChem CID64565172
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine
SMILESCCCNC(CCC(F)(F)F)c1ccoc1
InChIInChI=1S/C11H16F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3
InChIKeyFJNQIOKDSLDZGC-UHFFFAOYSA-N
XLogP3.66
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine (CID 64565172) is 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine is CCCNC(CCC(F)(F)F)c1ccoc1.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine?
The InChIKey is FJNQIOKDSLDZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-2-6-15-10(3-5-11(12,13)14)9-4-7-16-8-9/h4,7-8,10,15H,2-3,5-6H2,1H3.
What are the key properties of 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine?
4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine has a molecular weight of 235.25 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(furan-3-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 64565172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).