5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine

C8H7F2NO — CID 163436912

IUPAC5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine
SMILESNC1OCc2cc(F)c(F)cc21
InChIInChI=1S/C8H7F2NO/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2,8H,3,11H2
InChIKeyAVHALGRRVMFWFQ-UHFFFAOYSA-N
MW171.15 g/mol
LogP1.45
Rot. Bonds

About 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine

5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine (PubChem CID 163436912) has the molecular formula C8H7F2NO and a molecular weight of 171.15 g/mol. Its IUPAC name is 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine.

Molecular Properties

Compound Name5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine
PubChem CID163436912
Molecular FormulaC8H7F2NO
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine
SMILESNC1OCc2cc(F)c(F)cc21
InChIInChI=1S/C8H7F2NO/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2,8H,3,11H2
InChIKeyAVHALGRRVMFWFQ-UHFFFAOYSA-N
XLogP1.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(Methoxymethyl)phenyl]methanamine
CID 12628891
[2-(Ethoxymethyl)phenyl]methanamine
CID 16792336
(1,3-Dihydroisobenzofuran-5-yl)methanamine
CID 47002852
1-(4-Fluoro-2-((2-methoxyethoxy)methyl)phenyl)methanamine
CID 64764653
1-[4-Fluoro-2-(propoxymethyl)phenyl]methanamine
CID 64764840
(1,3-Dihydro-2-benzofuran-4-yl)methanamine hydrochloride
CID 165876557
(1S,3S)-1-azido-3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran
CID 132561257
1-Azido-3-(2,2,2-trifluoroethyl)-1,3-dihydro-2-benzofuran
CID 138980551
1-phenyl-3H-2-benzofuran-1-amine
CID 14064960
1-Aminophthalan
CID 69305998
Phenyl(trifluoromethoxy)methanamine
CID 21953518
[4-Fluoro-2-(methoxymethyl)phenyl]methanamine
CID 59600591

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine?
The IUPAC name of 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine (CID 163436912) is 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine.
What is the SMILES notation for 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine?
The canonical SMILES for 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine is NC1OCc2cc(F)c(F)cc21.
What is the InChIKey of 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine?
The InChIKey is AVHALGRRVMFWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO/c9-6-1-4-3-12-8(11)5(4)2-7(6)10/h1-2,8H,3,11H2.
What are the key properties of 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine?
5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine has a molecular weight of 171.15 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-1,3-dihydro-2-benzofuran-1-amine is sourced from PubChem (CID 163436912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).