(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone

C16H12BrFO2 — CID 115812909

IUPAC(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1cccc(F)c1Br
InChIInChI=1S/C16H12BrFO2/c17-15-13(2-1-3-14(15)18)16(19)10-4-6-11(7-5-10)20-12-8-9-12/h1-7,12H,8-9H2
InChIKeyBTNJLCAWUWAPDL-UHFFFAOYSA-N
MW335.17 g/mol
LogP4.36
Rot. Bonds4

About (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone

(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 115812909) has the molecular formula C16H12BrFO2 and a molecular weight of 335.17 g/mol. Its IUPAC name is (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID115812909
Molecular FormulaC16H12BrFO2
Molecular Weight335.17 g/mol
Exact Mass334.00
IUPAC Name(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1cccc(F)c1Br
InChIInChI=1S/C16H12BrFO2/c17-15-13(2-1-3-14(15)18)16(19)10-4-6-11(7-5-10)20-12-8-9-12/h1-7,12H,8-9H2
InChIKeyBTNJLCAWUWAPDL-UHFFFAOYSA-N
XLogP4.36
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812876
(2-bromo-3-fluorophenyl)-naphthalen-2-ylmethanone
CID 114970378
(2-amino-3-methoxyphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 107469288
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520639
(3-bromo-4-ethoxyphenyl)-(2-bromo-3-fluorophenyl)methanone
CID 104656856
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 114518914
(4-chloro-2,5-difluorophenyl)-(3-cyclopropyloxyphenyl)methanone
CID 115813318
(2-bromo-3-fluorophenyl)-(1,2-thiazol-4-yl)methanone
CID 164645645
(4-cyclopropyloxyphenyl)-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105134407
(2-bromo-3-fluorophenyl)-(5-propan-2-yloxy-3-pyridinyl)methanone
CID 115794634

Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone (CID 115812909) is (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone is O=C(c1ccc(OC2CC2)cc1)c1cccc(F)c1Br.
What is the InChIKey of (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is BTNJLCAWUWAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFO2/c17-15-13(2-1-3-14(15)18)16(19)10-4-6-11(7-5-10)20-12-8-9-12/h1-7,12H,8-9H2.
What are the key properties of (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 335.17 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 115812909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).