(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine

C7H8F3NO — CID 131057031

IUPAC(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
SMILESCc1cocc1[C@H](N)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m0/s1
InChIKeyLGWXAVWQKQCGBQ-LURJTMIESA-N
MW179.14 g/mol
LogP2.15
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine (PubChem CID 131057031) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
PubChem CID131057031
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine
SMILESCc1cocc1[C@H](N)C(F)(F)F
InChIInChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m0/s1
InChIKeyLGWXAVWQKQCGBQ-LURJTMIESA-N
XLogP2.15
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine (CID 131057031) is (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine is Cc1cocc1[C@H](N)C(F)(F)F.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
The InChIKey is LGWXAVWQKQCGBQ-LURJTMIESA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4-2-12-3-5(4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine has a molecular weight of 179.14 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-methylfuran-3-yl)ethanamine is sourced from PubChem (CID 131057031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).