(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone

C16H11BrF2O2 — CID 115812876

IUPAC(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H11BrF2O2/c17-10-7-13(18)15(14(19)8-10)16(20)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2
InChIKeyZNEGCSSVVPGKRJ-UHFFFAOYSA-N
MW353.16 g/mol
LogP4.50
Rot. Bonds4

About (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone

(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone (PubChem CID 115812876) has the molecular formula C16H11BrF2O2 and a molecular weight of 353.16 g/mol. Its IUPAC name is (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone.

Molecular Properties

Compound Name(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
PubChem CID115812876
Molecular FormulaC16H11BrF2O2
Molecular Weight353.16 g/mol
Exact Mass351.99
IUPAC Name(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone
SMILESO=C(c1ccc(OC2CC2)cc1)c1c(F)cc(Br)cc1F
InChIInChI=1S/C16H11BrF2O2/c17-10-7-13(18)15(14(19)8-10)16(20)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2
InChIKeyZNEGCSSVVPGKRJ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3-fluorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812909
(3-bromo-4-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 115812872
(2-amino-4-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114518849
1-bromo-4-cyclopropyloxybenzene
CID 50998694
(4-cyclopropyloxyphenyl)-(5-fluoro-2-pyridinyl)methanone
CID 114518914
(2-amino-5-methylphenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520639
(4-bromo-2,6-difluorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 115785405
(3-amino-5-chlorophenyl)-(4-cyclopropyloxyphenyl)methanone
CID 114520685
bis[4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 56983177
(4-cyclopropyloxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 114518942
(4-cyclopropyloxyphenyl)-(3,5-dichloro-2-pyridinyl)methanone
CID 114518915
[4-(3,4-difluorophenoxy)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 84561785

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The IUPAC name of (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone (CID 115812876) is (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone.
What is the SMILES notation for (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The canonical SMILES for (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone is O=C(c1ccc(OC2CC2)cc1)c1c(F)cc(Br)cc1F.
What is the InChIKey of (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
The InChIKey is ZNEGCSSVVPGKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrF2O2/c17-10-7-13(18)15(14(19)8-10)16(20)9-1-3-11(4-2-9)21-12-5-6-12/h1-4,7-8,12H,5-6H2.
What are the key properties of (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone?
(4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone has a molecular weight of 353.16 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,6-difluorophenyl)-(4-cyclopropyloxyphenyl)methanone is sourced from PubChem (CID 115812876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).