1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol

C10H9ClF2O2 — CID 104632781

IUPAC1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
SMILESOC(c1cc(Cl)cc2c1OCC2)C(F)F
InChIInChI=1S/C10H9ClF2O2/c11-6-3-5-1-2-15-9(5)7(4-6)8(14)10(12)13/h3-4,8,10,14H,1-2H2
InChIKeyKSSLWEOBQLLGLQ-UHFFFAOYSA-N
MW234.63 g/mol
LogP2.57
Rot. Bonds2

About 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol (PubChem CID 104632781) has the molecular formula C10H9ClF2O2 and a molecular weight of 234.63 g/mol. Its IUPAC name is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
PubChem CID104632781
Molecular FormulaC10H9ClF2O2
Molecular Weight234.63 g/mol
Exact Mass234.03
IUPAC Name1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol
SMILESOC(c1cc(Cl)cc2c1OCC2)C(F)F
InChIInChI=1S/C10H9ClF2O2/c11-6-3-5-1-2-15-9(5)7(4-6)8(14)10(12)13/h3-4,8,10,14H,1-2H2
InChIKeyKSSLWEOBQLLGLQ-UHFFFAOYSA-N
XLogP2.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.63
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2-ethylbutan-1-ol
CID 104543070
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2,3,3-tetrafluoropropan-1-ol
CID 104543146
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-3,3,3-trifluoropropan-1-ol
CID 113425155
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluorophenyl)methanol
CID 104543259
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,6-difluorophenyl)methanol
CID 104543072
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(5-chlorofuran-2-yl)methanol
CID 106688939
5-chloro-7-[chloro-(5-chloro-2-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran
CID 104543764
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 104543117
(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-(2-fluoro-4-methylphenyl)methanol
CID 104543145
(4-bromo-2-fluorophenyl)-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methanol
CID 104543168
7-[bromo(cyclopropyl)methyl]-5-chloro-2,3-dihydro-1-benzofuran
CID 104544090
7-(1-bromo-3,3-dimethylbutyl)-5-chloro-2,3-dihydro-1-benzofuran
CID 104543990

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol (CID 104632781) is 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol is OC(c1cc(Cl)cc2c1OCC2)C(F)F.
What is the InChIKey of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol?
The InChIKey is KSSLWEOBQLLGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF2O2/c11-6-3-5-1-2-15-9(5)7(4-6)8(14)10(12)13/h3-4,8,10,14H,1-2H2.
What are the key properties of 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol?
1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol has a molecular weight of 234.63 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2,3-dihydro-1-benzofuran-7-yl)-2,2-difluoroethanol is sourced from PubChem (CID 104632781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).