6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine

C10H11F2NO — CID 155287046

IUPAC6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine
SMILESCC(F)(F)c1cc(N)c2c(c1)COC2
InChIInChI=1S/C10H11F2NO/c1-10(11,12)7-2-6-4-14-5-8(6)9(13)3-7/h2-3H,4-5,13H2,1H3
InChIKeyBZWCWPYJYBQWSF-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.41
Rot. Bonds1

About 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine

6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine (PubChem CID 155287046) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine
PubChem CID155287046
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine
SMILESCC(F)(F)c1cc(N)c2c(c1)COC2
InChIInChI=1S/C10H11F2NO/c1-10(11,12)7-2-6-4-14-5-8(6)9(13)3-7/h2-3H,4-5,13H2,1H3
InChIKeyBZWCWPYJYBQWSF-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(1,1-difluoroethyl)-2-methylbenzene-1,3-diamine
CID 164977518
4-bromo-6-chloro-1,3-dihydro-2-benzofuran-5-amine
CID 164912930
4-methyl-1,3-dihydro-2-benzofuran-5-amine
CID 55283822
7-fluoro-1,3,4,5-tetrahydro-2-benzoxepin-9-amine
CID 142006383
ethane;methyl 2-amino-4-(1,1-difluoroethyl)benzoate
CID 143307075
6-methyl-4-propan-2-yl-1,3-dihydro-2-benzofuran
CID 174193585
5-(1,1-difluoroethyl)-1,3-benzodioxole
CID 116841522
7,15-ditert-butyl-23-propan-2-yl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5(27),6,8,13,15,17(26),21(25),22-nonaene-25,26,27-triol
CID 10650558
4-tert-butyl-1,3-dihydro-2-benzofuran-5-carbonitrile
CID 174325271
2-(3,4-dihydro-1H-isochromen-6-yl)propan-2-amine
CID 82604168
7-tert-butyl-15,23-diethyl-3,11,19-trioxatetracyclo[19.3.1.15,9.113,17]heptacosa-1(24),5,7,9(27),13,15,17(26),21(25),22-nonaene-25,26,27-triol
CID 10697304
5,6-dimethyl-1,3-dihydro-2-benzofuran
CID 59964418

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine?
The IUPAC name of 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine (CID 155287046) is 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine?
The canonical SMILES for 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine is CC(F)(F)c1cc(N)c2c(c1)COC2.
What is the InChIKey of 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine?
The InChIKey is BZWCWPYJYBQWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-10(11,12)7-2-6-4-14-5-8(6)9(13)3-7/h2-3H,4-5,13H2,1H3.
What are the key properties of 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine?
6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine has a molecular weight of 199.20 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-1,3-dihydro-2-benzofuran-4-amine is sourced from PubChem (CID 155287046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).