2-bromofluoren-9-one;oxolane

C17H15BrO2 — CID 175333740

IUPAC2-bromofluoren-9-one;oxolane
SMILESC1CCOC1.O=C1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H7BrO.C4H8O/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyQFPBXWDFLWPYBR-UHFFFAOYSA-N
MW331.21 g/mol
LogP4.46
Rot. Bonds

About 2-bromofluoren-9-one;oxolane

2-bromofluoren-9-one;oxolane (PubChem CID 175333740) has the molecular formula C17H15BrO2 and a molecular weight of 331.21 g/mol. Its IUPAC name is 2-bromofluoren-9-one;oxolane.

Molecular Properties

Compound Name2-bromofluoren-9-one;oxolane
PubChem CID175333740
Molecular FormulaC17H15BrO2
Molecular Weight331.21 g/mol
Exact Mass330.03
IUPAC Name2-bromofluoren-9-one;oxolane
SMILESC1CCOC1.O=C1c2ccccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H7BrO.C4H8O/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1/h1-7H;1-4H2
InChIKeyQFPBXWDFLWPYBR-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.21
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromofluoren-9-one;oxolane?
The IUPAC name of 2-bromofluoren-9-one;oxolane (CID 175333740) is 2-bromofluoren-9-one;oxolane.
What is the SMILES notation for 2-bromofluoren-9-one;oxolane?
The canonical SMILES for 2-bromofluoren-9-one;oxolane is C1CCOC1.O=C1c2ccccc2-c2ccc(Br)cc21.
What is the InChIKey of 2-bromofluoren-9-one;oxolane?
The InChIKey is QFPBXWDFLWPYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrO.C4H8O/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8;1-2-4-5-3-1/h1-7H;1-4H2.
What are the key properties of 2-bromofluoren-9-one;oxolane?
2-bromofluoren-9-one;oxolane has a molecular weight of 331.21 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromofluoren-9-one;oxolane is sourced from PubChem (CID 175333740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).