1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile

C10H7BrFN — CID 71743051

IUPAC1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H7BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2
InChIKeyWBZLQZLPTLUQKG-UHFFFAOYSA-N
MW240.07 g/mol
LogP3.14
Rot. Bonds1

About 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile

1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile (PubChem CID 71743051) has the molecular formula C10H7BrFN and a molecular weight of 240.07 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile
PubChem CID71743051
Molecular FormulaC10H7BrFN
Molecular Weight240.07 g/mol
Exact Mass238.97
IUPAC Name1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2cc(F)cc(Br)c2)CC1
InChIInChI=1S/C10H7BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2
InChIKeyWBZLQZLPTLUQKG-UHFFFAOYSA-N
XLogP3.14
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.07
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile (CID 71743051) is 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile is N#CC1(c2cc(F)cc(Br)c2)CC1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile?
The InChIKey is WBZLQZLPTLUQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFN/c11-8-3-7(4-9(12)5-8)10(6-13)1-2-10/h3-5H,1-2H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile?
1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile has a molecular weight of 240.07 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 71743051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).