(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone

C9H7BrF2O2 — CID 130992583

IUPAC(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1occc1Br)C1CC(F)(F)C1
InChIInChI=1S/C9H7BrF2O2/c10-6-1-2-14-8(6)7(13)5-3-9(11,12)4-5/h1-2,5H,3-4H2
InChIKeyLWFGWLDYOMLXDY-UHFFFAOYSA-N
MW265.05 g/mol
LogP3.27
Rot. Bonds2

About (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone

(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone (PubChem CID 130992583) has the molecular formula C9H7BrF2O2 and a molecular weight of 265.05 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone
PubChem CID130992583
Molecular FormulaC9H7BrF2O2
Molecular Weight265.05 g/mol
Exact Mass263.96
IUPAC Name(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone
SMILESO=C(c1occc1Br)C1CC(F)(F)C1
InChIInChI=1S/C9H7BrF2O2/c10-6-1-2-14-8(6)7(13)5-3-9(11,12)4-5/h1-2,5H,3-4H2
InChIKeyLWFGWLDYOMLXDY-UHFFFAOYSA-N
XLogP3.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.05
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone (CID 130992583) is (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone is O=C(c1occc1Br)C1CC(F)(F)C1.
What is the InChIKey of (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone?
The InChIKey is LWFGWLDYOMLXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF2O2/c10-6-1-2-14-8(6)7(13)5-3-9(11,12)4-5/h1-2,5H,3-4H2.
What are the key properties of (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone?
(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone has a molecular weight of 265.05 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone is sourced from PubChem (CID 130992583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).