[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone

C14H10BrFOS — CID 43331778

IUPAC[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2Br)s1)C1CC1
InChIInChI=1S/C14H10BrFOS/c15-11-7-9(16)3-4-10(11)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2
InChIKeyDFXMJPPDNHOLEN-UHFFFAOYSA-N
MW325.20 g/mol
LogP4.91
Rot. Bonds3

About [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone

[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 43331778) has the molecular formula C14H10BrFOS and a molecular weight of 325.20 g/mol. Its IUPAC name is [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID43331778
Molecular FormulaC14H10BrFOS
Molecular Weight325.20 g/mol
Exact Mass323.96
IUPAC Name[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(F)cc2Br)s1)C1CC1
InChIInChI=1S/C14H10BrFOS/c15-11-7-9(16)3-4-10(11)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2
InChIKeyDFXMJPPDNHOLEN-UHFFFAOYSA-N
XLogP4.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone (CID 43331778) is [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone is O=C(c1ccc(-c2ccc(F)cc2Br)s1)C1CC1.
What is the InChIKey of [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is DFXMJPPDNHOLEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrFOS/c15-11-7-9(16)3-4-10(11)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2.
What are the key properties of [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
[5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 325.20 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-bromo-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 43331778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).