(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]

C11H11FO — CID 142096761

IUPAC(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESC[C@@H]1CC12COc1cc(F)ccc12
InChIInChI=1S/C11H11FO/c1-7-5-11(7)6-13-10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyZFNIZBFRRLLELR-DKSCNQEISA-N
MW178.21 g/mol
LogP2.50
Rot. Bonds

About (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]

(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] (PubChem CID 142096761) has the molecular formula C11H11FO and a molecular weight of 178.21 g/mol. Its IUPAC name is (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane].

Molecular Properties

Compound Name(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
PubChem CID142096761
Molecular FormulaC11H11FO
Molecular Weight178.21 g/mol
Exact Mass178.08
IUPAC Name(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]
SMILESC[C@@H]1CC12COc1cc(F)ccc12
InChIInChI=1S/C11H11FO/c1-7-5-11(7)6-13-10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3/t7-,11?/m1/s1
InChIKeyZFNIZBFRRLLELR-DKSCNQEISA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The IUPAC name of (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] (CID 142096761) is (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane].
What is the SMILES notation for (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The canonical SMILES for (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] is C[C@@H]1CC12COc1cc(F)ccc12.
What is the InChIKey of (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
The InChIKey is ZFNIZBFRRLLELR-DKSCNQEISA-N. The full InChI is InChI=1S/C11H11FO/c1-7-5-11(7)6-13-10-4-8(12)2-3-9(10)11/h2-4,7H,5-6H2,1H3/t7-,11?/m1/s1.
What are the key properties of (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane]?
(2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] has a molecular weight of 178.21 g/mol, XLogP of 2.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-6-fluoro-2'-methylspiro[2H-1-benzofuran-3,1'-cyclopropane] is sourced from PubChem (CID 142096761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).