1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine

C8H9ClF3NO — CID 106692285

IUPAC1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C8H9ClF3NO/c9-7-5(2-4-14-7)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2
InChIKeyQPZKZQVEFMJZBI-UHFFFAOYSA-N
MW227.61 g/mol
LogP3.28
Rot. Bonds3

About 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine

1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine (PubChem CID 106692285) has the molecular formula C8H9ClF3NO and a molecular weight of 227.61 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine
PubChem CID106692285
Molecular FormulaC8H9ClF3NO
Molecular Weight227.61 g/mol
Exact Mass227.03
IUPAC Name1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccoc1Cl
InChIInChI=1S/C8H9ClF3NO/c9-7-5(2-4-14-7)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2
InChIKeyQPZKZQVEFMJZBI-UHFFFAOYSA-N
XLogP3.28
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.61
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine (CID 106692285) is 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is QPZKZQVEFMJZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3NO/c9-7-5(2-4-14-7)6(13)1-3-8(10,11)12/h2,4,6H,1,3,13H2.
What are the key properties of 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine?
1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 227.61 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 106692285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).