(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine

C9H9F2NO2 — CID 131075554

IUPAC(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1c(F)c(F)cc2c1OC[C@@H]2N
InChIInChI=1S/C9H9F2NO2/c1-13-9-7(11)5(10)2-4-6(12)3-14-8(4)9/h2,6H,3,12H2,1H3/t6-/m0/s1
InChIKeyUBCWIAIZCCNSDH-LURJTMIESA-N
MW201.17 g/mol
LogP1.37
Rot. Bonds1

About (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine

(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine (PubChem CID 131075554) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine.

Molecular Properties

Compound Name(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
PubChem CID131075554
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Name(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine
SMILESCOc1c(F)c(F)cc2c1OC[C@@H]2N
InChIInChI=1S/C9H9F2NO2/c1-13-9-7(11)5(10)2-4-6(12)3-14-8(4)9/h2,6H,3,12H2,1H3/t6-/m0/s1
InChIKeyUBCWIAIZCCNSDH-LURJTMIESA-N
XLogP1.37
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6,7-dimethoxy-2,3-dihydro-1-benzofuran-5-ol
CID 86192290
(3S)-3-amino-7-methoxy-2,3-dihydro-1-benzofuran-6-ol
CID 55295344
(3R)-7-ethyl-5-methoxy-2,3-dihydro-1-benzofuran-3-amine
CID 130609262
5,6-dimethoxy-2,3-dihydro-1-benzofuran-3-amine
CID 55269219
(3S)-3-amino-7-methyl-2,3-dihydro-1-benzofuran-5-ol
CID 130992672
3-amino-7-fluoro-2,3-dihydro-1-benzofuran-6-ol
CID 55292297
[1-methyl-5-(2,4,5-trifluoro-3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 117117215
(4S)-8-fluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252232
(4R)-7,8-difluoro-6-methoxy-3,4-dihydro-2H-chromen-4-amine;hydrochloride
CID 171252356
5,7-ditert-butyl-2,3-dihydro-1-benzofuran-3-amine
CID 43512484
(4S)-10-methoxy-3,4-dihydro-2H-benzo[g]chromen-4-amine;hydrochloride
CID 171252130
6-methoxy-2,3-dihydro-1-benzofuran-3,5-diamine
CID 55294789

Frequently Asked Questions

What is the IUPAC name of (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The IUPAC name of (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine (CID 131075554) is (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine.
What is the SMILES notation for (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The canonical SMILES for (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine is COc1c(F)c(F)cc2c1OC[C@@H]2N.
What is the InChIKey of (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine?
The InChIKey is UBCWIAIZCCNSDH-LURJTMIESA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-13-9-7(11)5(10)2-4-6(12)3-14-8(4)9/h2,6H,3,12H2,1H3/t6-/m0/s1.
What are the key properties of (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine?
(3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine has a molecular weight of 201.17 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5,6-difluoro-7-methoxy-2,3-dihydro-1-benzofuran-3-amine is sourced from PubChem (CID 131075554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).