(4-chloro-2-fluorophenyl)methyl formate

C8H6ClFO2 — CID 58184080

IUPAC(4-chloro-2-fluorophenyl)methyl formate
SMILESO=COCc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO2/c9-7-2-1-6(4-12-5-11)8(10)3-7/h1-3,5H,4H2
InChIKeyGUCVIUDAXIQNCI-UHFFFAOYSA-N
MW188.59 g/mol
LogP2.15
Rot. Bonds3

About (4-chloro-2-fluorophenyl)methyl formate

(4-chloro-2-fluorophenyl)methyl formate (PubChem CID 58184080) has the molecular formula C8H6ClFO2 and a molecular weight of 188.59 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)methyl formate.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)methyl formate
PubChem CID58184080
Molecular FormulaC8H6ClFO2
Molecular Weight188.59 g/mol
Exact Mass188.00
IUPAC Name(4-chloro-2-fluorophenyl)methyl formate
SMILESO=COCc1ccc(Cl)cc1F
InChIInChI=1S/C8H6ClFO2/c9-7-2-1-6(4-12-5-11)8(10)3-7/h1-3,5H,4H2
InChIKeyGUCVIUDAXIQNCI-UHFFFAOYSA-N
XLogP2.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.59
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)methyl formate?
The IUPAC name of (4-chloro-2-fluorophenyl)methyl formate (CID 58184080) is (4-chloro-2-fluorophenyl)methyl formate.
What is the SMILES notation for (4-chloro-2-fluorophenyl)methyl formate?
The canonical SMILES for (4-chloro-2-fluorophenyl)methyl formate is O=COCc1ccc(Cl)cc1F.
What is the InChIKey of (4-chloro-2-fluorophenyl)methyl formate?
The InChIKey is GUCVIUDAXIQNCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c9-7-2-1-6(4-12-5-11)8(10)3-7/h1-3,5H,4H2.
What are the key properties of (4-chloro-2-fluorophenyl)methyl formate?
(4-chloro-2-fluorophenyl)methyl formate has a molecular weight of 188.59 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)methyl formate is sourced from PubChem (CID 58184080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).