4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine

C8H10F3NO — CID 83175405

IUPAC4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine
SMILESNC(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2
InChIKeyVHEUJGSKPGDALV-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.10
Rot. Bonds3

About 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine

4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine (PubChem CID 83175405) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine
PubChem CID83175405
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine
SMILESNC(Cc1ccoc1)CC(F)(F)F
InChIInChI=1S/C8H10F3NO/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2
InChIKeyVHEUJGSKPGDALV-UHFFFAOYSA-N
XLogP2.10
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.10
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)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine (CID 83175405) is 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine is NC(Cc1ccoc1)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine?
The InChIKey is VHEUJGSKPGDALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)4-7(12)3-6-1-2-13-5-6/h1-2,5,7H,3-4,12H2.
What are the key properties of 4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine?
4,4,4-trifluoro-1-(furan-3-yl)butan-2-amine has a molecular weight of 193.17 g/mol, XLogP of 2.10, 3 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)butan-2-amine is sourced from PubChem (CID 83175405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).