(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

C9H10F3NO — CID 97036495

IUPAC(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESN[C@H]1C[C@H](C(F)(F)F)Cc2occc21
InChIInChI=1S/C9H10F3NO/c10-9(11,12)5-3-7(13)6-1-2-14-8(6)4-5/h1-2,5,7H,3-4,13H2/t5-,7-/m0/s1
InChIKeyWTRHZUQGCLVJNE-FSPLSTOPSA-N
MW205.18 g/mol
LogP2.40
Rot. Bonds

About (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine

(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (PubChem CID 97036495) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.

Molecular Properties

Compound Name(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
PubChem CID97036495
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine
SMILESN[C@H]1C[C@H](C(F)(F)F)Cc2occc21
InChIInChI=1S/C9H10F3NO/c10-9(11,12)5-3-7(13)6-1-2-14-8(6)4-5/h1-2,5,7H,3-4,13H2/t5-,7-/m0/s1
InChIKeyWTRHZUQGCLVJNE-FSPLSTOPSA-N
XLogP2.40
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The IUPAC name of (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine (CID 97036495) is (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine.
What is the SMILES notation for (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The canonical SMILES for (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is N[C@H]1C[C@H](C(F)(F)F)Cc2occc21.
What is the InChIKey of (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
The InChIKey is WTRHZUQGCLVJNE-FSPLSTOPSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)5-3-7(13)6-1-2-14-8(6)4-5/h1-2,5,7H,3-4,13H2/t5-,7-/m0/s1.
What are the key properties of (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine?
(4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine has a molecular weight of 205.18 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-6-(trifluoromethyl)-4,5,6,7-tetrahydro-1-benzofuran-4-amine is sourced from PubChem (CID 97036495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).