(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

C17H14F2O2 — CID 62325416

IUPAC(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2O1
InChIInChI=1S/C17H14F2O2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8H,9H2,1-2H3
InChIKeyNLHFGCDUZGPCLB-UHFFFAOYSA-N
MW288.29 g/mol
LogP3.91
Rot. Bonds2

About (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone

(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (PubChem CID 62325416) has the molecular formula C17H14F2O2 and a molecular weight of 288.29 g/mol. Its IUPAC name is (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
PubChem CID62325416
Molecular FormulaC17H14F2O2
Molecular Weight288.29 g/mol
Exact Mass288.10
IUPAC Name(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone
SMILESCC1(C)Cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2O1
InChIInChI=1S/C17H14F2O2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8H,9H2,1-2H3
InChIKeyNLHFGCDUZGPCLB-UHFFFAOYSA-N
XLogP3.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The IUPAC name of (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone (CID 62325416) is (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone.
What is the SMILES notation for (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The canonical SMILES for (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is CC1(C)Cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2O1.
What is the InChIKey of (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
The InChIKey is NLHFGCDUZGPCLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O2/c1-17(2)9-12-5-10(3-4-15(12)21-17)16(20)11-6-13(18)8-14(19)7-11/h3-8H,9H2,1-2H3.
What are the key properties of (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone?
(3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone has a molecular weight of 288.29 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-(2,2-dimethyl-3H-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 62325416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).