(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

C12H10BrFO2 — CID 102647070

IUPAC(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1c(F)cccc1Br
InChIInChI=1S/C12H10BrFO2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2
InChIKeyJGSDQBDPUBJENI-UHFFFAOYSA-N
MW285.11 g/mol
LogP3.47
Rot. Bonds2

About (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone

(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (PubChem CID 102647070) has the molecular formula C12H10BrFO2 and a molecular weight of 285.11 g/mol. Its IUPAC name is (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.

Molecular Properties

Compound Name(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
PubChem CID102647070
Molecular FormulaC12H10BrFO2
Molecular Weight285.11 g/mol
Exact Mass283.98
IUPAC Name(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
SMILESO=C(C1=CCCCO1)c1c(F)cccc1Br
InChIInChI=1S/C12H10BrFO2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2
InChIKeyJGSDQBDPUBJENI-UHFFFAOYSA-N
XLogP3.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.11
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102651034
(2-amino-3-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648445
(2,6-dichlorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648583
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648565
(2-bromo-3-fluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652727
(2,5-difluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102646868
(2,3-difluorophenyl)-(2,3-dihydrofuran-5-yl)methanone
CID 102652719
(2-bromo-6-fluorophenyl)-(4-fluorophenyl)methanone
CID 114558647
(2-bromofuran-3-yl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 106856818
3,4-dihydro-2H-pyran-6-yl-(3-fluoro-4-methylphenyl)methanone
CID 102646801
(2-bromo-6-fluorophenyl)-(5-bromofuran-2-yl)methanone
CID 114558761
1-(2-bromo-6-fluorophenyl)prop-2-en-1-one
CID 114885459

Frequently Asked Questions

What is the IUPAC name of (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The IUPAC name of (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone (CID 102647070) is (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone.
What is the SMILES notation for (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The canonical SMILES for (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is O=C(C1=CCCCO1)c1c(F)cccc1Br.
What is the InChIKey of (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
The InChIKey is JGSDQBDPUBJENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFO2/c13-8-4-3-5-9(14)11(8)12(15)10-6-1-2-7-16-10/h3-6H,1-2,7H2.
What are the key properties of (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone?
(2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone has a molecular weight of 285.11 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-6-fluorophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone is sourced from PubChem (CID 102647070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).