[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone

C14H10BrF3O2 — CID 107332667

IUPAC[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H10BrF3O2/c1-2-9-4-6-12(20-9)13(19)10-5-3-8(15)7-11(10)14(16,17)18/h3-7H,2H2,1H3
InChIKeyQTNHFURAWJBOQC-UHFFFAOYSA-N
MW347.13 g/mol
LogP4.85
Rot. Bonds3

About [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone

[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone (PubChem CID 107332667) has the molecular formula C14H10BrF3O2 and a molecular weight of 347.13 g/mol. Its IUPAC name is [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
PubChem CID107332667
Molecular FormulaC14H10BrF3O2
Molecular Weight347.13 g/mol
Exact Mass345.98
IUPAC Name[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2ccc(Br)cc2C(F)(F)F)o1
InChIInChI=1S/C14H10BrF3O2/c1-2-9-4-6-12(20-9)13(19)10-5-3-8(15)7-11(10)14(16,17)18/h3-7H,2H2,1H3
InChIKeyQTNHFURAWJBOQC-UHFFFAOYSA-N
XLogP4.85
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.13
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-2-(trifluoromethyl)phenyl]-(2,5-dimethylfuran-3-yl)methanone
CID 107332666
1-[4-bromo-2-(trifluoromethyl)phenyl]-2,2-dimethylbutan-1-one
CID 146011270
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
[4-bromo-2-(trifluoromethyl)phenyl]-thiophen-2-ylmethanone
CID 62690339
[5-(aminomethyl)furan-2-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 116590130
(3-bromofuran-2-yl)-[4-bromo-2-(trifluoromethyl)phenyl]methanone
CID 63943403
3-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624971
1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-one
CID 63409909
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505
N-[3-(aminomethyl)pentan-3-yl]-4-bromo-2-(trifluoromethyl)benzamide
CID 107333139
5-bromo-2-[(5-ethylfuran-2-carbonyl)amino]benzoic acid
CID 62073783
N-[4-amino-3-(trifluoromethyl)phenyl]-5-ethylfuran-2-carboxamide
CID 79095580

Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone?
The IUPAC name of [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone (CID 107332667) is [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)c2ccc(Br)cc2C(F)(F)F)o1.
What is the InChIKey of [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone?
The InChIKey is QTNHFURAWJBOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrF3O2/c1-2-9-4-6-12(20-9)13(19)10-5-3-8(15)7-11(10)14(16,17)18/h3-7H,2H2,1H3.
What are the key properties of [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone?
[4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone has a molecular weight of 347.13 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(trifluoromethyl)phenyl]-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 107332667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).