(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine

C6H5ClF3NO — CID 58736578

IUPAC(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cc(Cl)co1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NO/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m0/s1
InChIKeyHVKNZYMILOQNMO-YFKPBYRVSA-N
MW199.56 g/mol
LogP2.50
Rot. Bonds1

About (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine

(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine (PubChem CID 58736578) has the molecular formula C6H5ClF3NO and a molecular weight of 199.56 g/mol. Its IUPAC name is (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound Name(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine
PubChem CID58736578
Molecular FormulaC6H5ClF3NO
Molecular Weight199.56 g/mol
Exact Mass199.00
IUPAC Name(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine
SMILESN[C@@H](c1cc(Cl)co1)C(F)(F)F
InChIInChI=1S/C6H5ClF3NO/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m0/s1
InChIKeyHVKNZYMILOQNMO-YFKPBYRVSA-N
XLogP2.50
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.56
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine?
The IUPAC name of (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine (CID 58736578) is (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine?
The canonical SMILES for (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine is N[C@@H](c1cc(Cl)co1)C(F)(F)F.
What is the InChIKey of (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine?
The InChIKey is HVKNZYMILOQNMO-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H5ClF3NO/c7-3-1-4(12-2-3)5(11)6(8,9)10/h1-2,5H,11H2/t5-/m0/s1.
What are the key properties of (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine?
(1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine has a molecular weight of 199.56 g/mol, XLogP of 2.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-chlorofuran-2-yl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 58736578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).