1-chloro-4-(fluoromethoxymethyl)benzene

C8H8ClFO — CID 10954029

IUPAC1-chloro-4-(fluoromethoxymethyl)benzene
SMILESFCOCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5-6H2
InChIKeyYHJREXDFFLXOOX-UHFFFAOYSA-N
MW174.60 g/mol
LogP2.78
Rot. Bonds3

About 1-chloro-4-(fluoromethoxymethyl)benzene

1-chloro-4-(fluoromethoxymethyl)benzene (PubChem CID 10954029) has the molecular formula C8H8ClFO and a molecular weight of 174.60 g/mol. Its IUPAC name is 1-chloro-4-(fluoromethoxymethyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(fluoromethoxymethyl)benzene
PubChem CID10954029
Molecular FormulaC8H8ClFO
Molecular Weight174.60 g/mol
Exact Mass174.02
IUPAC Name1-chloro-4-(fluoromethoxymethyl)benzene
SMILESFCOCc1ccc(Cl)cc1
InChIInChI=1S/C8H8ClFO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5-6H2
InChIKeyYHJREXDFFLXOOX-UHFFFAOYSA-N
XLogP2.78
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.60
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(fluoromethoxymethyl)benzene?
The IUPAC name of 1-chloro-4-(fluoromethoxymethyl)benzene (CID 10954029) is 1-chloro-4-(fluoromethoxymethyl)benzene.
What is the SMILES notation for 1-chloro-4-(fluoromethoxymethyl)benzene?
The canonical SMILES for 1-chloro-4-(fluoromethoxymethyl)benzene is FCOCc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-4-(fluoromethoxymethyl)benzene?
The InChIKey is YHJREXDFFLXOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClFO/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4H,5-6H2.
What are the key properties of 1-chloro-4-(fluoromethoxymethyl)benzene?
1-chloro-4-(fluoromethoxymethyl)benzene has a molecular weight of 174.60 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(fluoromethoxymethyl)benzene is sourced from PubChem (CID 10954029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).