1-chloro-3-fluoro-2-methoxybenzene

C7H6ClFO — CID 2773581

IUPAC1-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKeyQASFEHCRPLPGES-UHFFFAOYSA-N
MW160.57 g/mol
LogP2.49
Rot. Bonds1

About 1-chloro-3-fluoro-2-methoxybenzene

1-chloro-3-fluoro-2-methoxybenzene (PubChem CID 2773581) has the molecular formula C7H6ClFO and a molecular weight of 160.57 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-methoxybenzene
PubChem CID2773581
Molecular FormulaC7H6ClFO
Molecular Weight160.57 g/mol
Exact Mass160.01
IUPAC Name1-chloro-3-fluoro-2-methoxybenzene
SMILESCOc1c(F)cccc1Cl
InChIInChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3
InChIKeyQASFEHCRPLPGES-UHFFFAOYSA-N
XLogP2.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.57
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-methoxybenzene?
The IUPAC name of 1-chloro-3-fluoro-2-methoxybenzene (CID 2773581) is 1-chloro-3-fluoro-2-methoxybenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-methoxybenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-methoxybenzene is COc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-3-fluoro-2-methoxybenzene?
The InChIKey is QASFEHCRPLPGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClFO/c1-10-7-5(8)3-2-4-6(7)9/h2-4H,1H3.
What are the key properties of 1-chloro-3-fluoro-2-methoxybenzene?
1-chloro-3-fluoro-2-methoxybenzene has a molecular weight of 160.57 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-methoxybenzene is sourced from PubChem (CID 2773581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).