(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine

C9H7ClF3NO — CID 131311230

IUPAC(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2cc(Cl)c(C(F)(F)F)cc21
InChIInChI=1S/C9H7ClF3NO/c10-6-2-8-4(7(14)3-15-8)1-5(6)9(11,12)13/h1-2,7H,3,14H2/t7-/m1/s1
InChIKeyYTIZGZOIKUQQOI-SSDOTTSWSA-N
MW237.61 g/mol
LogP2.75
Rot. Bonds

About (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine

(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131311230) has the molecular formula C9H7ClF3NO and a molecular weight of 237.61 g/mol. Its IUPAC name is (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131311230
Molecular FormulaC9H7ClF3NO
Molecular Weight237.61 g/mol
Exact Mass237.02
IUPAC Name(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine
SMILESN[C@@H]1COc2cc(Cl)c(C(F)(F)F)cc21
InChIInChI=1S/C9H7ClF3NO/c10-6-2-8-4(7(14)3-15-8)1-5(6)9(11,12)13/h1-2,7H,3,14H2/t7-/m1/s1
InChIKeyYTIZGZOIKUQQOI-SSDOTTSWSA-N
XLogP2.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.61
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine (CID 131311230) is (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine is N[C@@H]1COc2cc(Cl)c(C(F)(F)F)cc21.
What is the InChIKey of (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is YTIZGZOIKUQQOI-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H7ClF3NO/c10-6-2-8-4(7(14)3-15-8)1-5(6)9(11,12)13/h1-2,7H,3,14H2/t7-/m1/s1.
What are the key properties of (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine?
(3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 237.61 g/mol, XLogP of 2.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-5-(trifluoromethyl)-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131311230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).