8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]

C13H14BrFO — CID 170760150

IUPAC8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
SMILESCC1(C)CC2(CC2)Oc2c(Br)cc(F)cc21
InChIInChI=1S/C13H14BrFO/c1-12(2)7-13(3-4-13)16-11-9(12)5-8(15)6-10(11)14/h5-6H,3-4,7H2,1-2H3
InChIKeyWYBGQDXGKVACER-UHFFFAOYSA-N
MW285.16 g/mol
LogP4.18
Rot. Bonds

About 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]

8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] (PubChem CID 170760150) has the molecular formula C13H14BrFO and a molecular weight of 285.16 g/mol. Its IUPAC name is 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane].

Molecular Properties

Compound Name8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
PubChem CID170760150
Molecular FormulaC13H14BrFO
Molecular Weight285.16 g/mol
Exact Mass284.02
IUPAC Name8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]
SMILESCC1(C)CC2(CC2)Oc2c(Br)cc(F)cc21
InChIInChI=1S/C13H14BrFO/c1-12(2)7-13(3-4-13)16-11-9(12)5-8(15)6-10(11)14/h5-6H,3-4,7H2,1-2H3
InChIKeyWYBGQDXGKVACER-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The IUPAC name of 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] (CID 170760150) is 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane].
What is the SMILES notation for 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The canonical SMILES for 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] is CC1(C)CC2(CC2)Oc2c(Br)cc(F)cc21.
What is the InChIKey of 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
The InChIKey is WYBGQDXGKVACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFO/c1-12(2)7-13(3-4-13)16-11-9(12)5-8(15)6-10(11)14/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane]?
8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] has a molecular weight of 285.16 g/mol, XLogP of 4.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-fluoro-4,4-dimethylspiro[3H-chromene-2,1'-cyclopropane] is sourced from PubChem (CID 170760150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).