1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile

C11H9BrFNO — CID 155203794

IUPAC1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrFNO/c12-8-1-2-10(9(13)5-8)15-7-11(6-14)3-4-11/h1-2,5H,3-4,7H2
InChIKeyNKNDUWYITASYIX-UHFFFAOYSA-N
MW270.10 g/mol
LogP3.27
Rot. Bonds3

About 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile

1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile (PubChem CID 155203794) has the molecular formula C11H9BrFNO and a molecular weight of 270.10 g/mol. Its IUPAC name is 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile
PubChem CID155203794
Molecular FormulaC11H9BrFNO
Molecular Weight270.10 g/mol
Exact Mass268.99
IUPAC Name1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile
SMILESN#CC1(COc2ccc(Br)cc2F)CC1
InChIInChI=1S/C11H9BrFNO/c12-8-1-2-10(9(13)5-8)15-7-11(6-14)3-4-11/h1-2,5H,3-4,7H2
InChIKeyNKNDUWYITASYIX-UHFFFAOYSA-N
XLogP3.27
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.10
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile (CID 155203794) is 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile is N#CC1(COc2ccc(Br)cc2F)CC1.
What is the InChIKey of 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile?
The InChIKey is NKNDUWYITASYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFNO/c12-8-1-2-10(9(13)5-8)15-7-11(6-14)3-4-11/h1-2,5H,3-4,7H2.
What are the key properties of 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile?
1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile has a molecular weight of 270.10 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-fluorophenoxy)methyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 155203794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).