7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one

C19H16F2O2 — CID 59898691

IUPAC7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2cc(-c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H16F2O2/c20-15-6-4-12(9-16(15)21)13-3-5-14-17(22)11-19(7-1-2-8-19)23-18(14)10-13/h3-6,9-10H,1-2,7-8,11H2
InChIKeyBJRMTCQYHIQYPY-UHFFFAOYSA-N
MW314.33 g/mol
LogP4.91
Rot. Bonds1

About 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one

7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one (PubChem CID 59898691) has the molecular formula C19H16F2O2 and a molecular weight of 314.33 g/mol. Its IUPAC name is 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one.

Molecular Properties

Compound Name7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one
PubChem CID59898691
Molecular FormulaC19H16F2O2
Molecular Weight314.33 g/mol
Exact Mass314.11
IUPAC Name7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one
SMILESO=C1CC2(CCCC2)Oc2cc(-c3ccc(F)c(F)c3)ccc21
InChIInChI=1S/C19H16F2O2/c20-15-6-4-12(9-16(15)21)13-3-5-14-17(22)11-19(7-1-2-8-19)23-18(14)10-13/h3-6,9-10H,1-2,7-8,11H2
InChIKeyBJRMTCQYHIQYPY-UHFFFAOYSA-N
XLogP4.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one?
The IUPAC name of 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one (CID 59898691) is 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one.
What is the SMILES notation for 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one?
The canonical SMILES for 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one is O=C1CC2(CCCC2)Oc2cc(-c3ccc(F)c(F)c3)ccc21.
What is the InChIKey of 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one?
The InChIKey is BJRMTCQYHIQYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2O2/c20-15-6-4-12(9-16(15)21)13-3-5-14-17(22)11-19(7-1-2-8-19)23-18(14)10-13/h3-6,9-10H,1-2,7-8,11H2.
What are the key properties of 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one?
7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one has a molecular weight of 314.33 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3,4-difluorophenyl)spiro[3H-chromene-2,1'-cyclopentane]-4-one is sourced from PubChem (CID 59898691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).