2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile

C14H9ClFNO — CID 2737295

IUPAC2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2
InChIKeyUCZCRTPNBWBCBM-UHFFFAOYSA-N
MW261.68 g/mol
LogP3.93
Rot. Bonds3

About 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile

2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile (PubChem CID 2737295) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile
PubChem CID2737295
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile
SMILESN#Cc1c(F)cccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2
InChIKeyUCZCRTPNBWBCBM-UHFFFAOYSA-N
XLogP3.93
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile?
The IUPAC name of 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile (CID 2737295) is 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile?
The canonical SMILES for 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile is N#Cc1c(F)cccc1OCc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile?
The InChIKey is UCZCRTPNBWBCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-11-6-4-10(5-7-11)9-18-14-3-1-2-13(16)12(14)8-17/h1-7H,9H2.
What are the key properties of 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile?
2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile has a molecular weight of 261.68 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methoxy]-6-fluorobenzonitrile is sourced from PubChem (CID 2737295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).