fluoro 2-chloro-4-methylbenzoate

C8H6ClFO2 — CID 175270708

IUPACfluoro 2-chloro-4-methylbenzoate
SMILESCc1ccc(C(=O)OF)c(Cl)c1
InChIInChI=1S/C8H6ClFO2/c1-5-2-3-6(7(9)4-5)8(11)12-10/h2-4H,1H3
InChIKeyFOQDKWPGCWRQFP-UHFFFAOYSA-N
MW188.58 g/mol
LogP2.69
Rot. Bonds1

About fluoro 2-chloro-4-methylbenzoate

fluoro 2-chloro-4-methylbenzoate (PubChem CID 175270708) has the molecular formula C8H6ClFO2 and a molecular weight of 188.58 g/mol. Its IUPAC name is fluoro 2-chloro-4-methylbenzoate.

Molecular Properties

Compound Namefluoro 2-chloro-4-methylbenzoate
PubChem CID175270708
Molecular FormulaC8H6ClFO2
Molecular Weight188.58 g/mol
Exact Mass188.00
IUPAC Namefluoro 2-chloro-4-methylbenzoate
SMILESCc1ccc(C(=O)OF)c(Cl)c1
InChIInChI=1S/C8H6ClFO2/c1-5-2-3-6(7(9)4-5)8(11)12-10/h2-4H,1H3
InChIKeyFOQDKWPGCWRQFP-UHFFFAOYSA-N
XLogP2.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.58
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)propan-1-one
CID 103689347
2-chloro-N,4-dimethylbenzamide;ethane
CID 143942674
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
1-(2-chloro-4-methylphenyl)butan-1-one
CID 13175615
1-(2-chloro-4-methylphenyl)-2-(4-methylphenyl)ethanone
CID 106861498
1-(2-chloro-4-methylphenyl)-3,3-dimethylbutan-1-one
CID 146009717
2-(ethylcarbamoylamino)ethyl 2-chloro-4-methylbenzoate
CID 100626423
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
1-(2-chloro-4-methylphenyl)ethenamine
CID 142112341
1-(2-chloro-4-methylphenyl)pent-3-yn-1-one
CID 106864833
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
CID 106860754
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797

Frequently Asked Questions

What is the IUPAC name of fluoro 2-chloro-4-methylbenzoate?
The IUPAC name of fluoro 2-chloro-4-methylbenzoate (CID 175270708) is fluoro 2-chloro-4-methylbenzoate.
What is the SMILES notation for fluoro 2-chloro-4-methylbenzoate?
The canonical SMILES for fluoro 2-chloro-4-methylbenzoate is Cc1ccc(C(=O)OF)c(Cl)c1.
What is the InChIKey of fluoro 2-chloro-4-methylbenzoate?
The InChIKey is FOQDKWPGCWRQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFO2/c1-5-2-3-6(7(9)4-5)8(11)12-10/h2-4H,1H3.
What are the key properties of fluoro 2-chloro-4-methylbenzoate?
fluoro 2-chloro-4-methylbenzoate has a molecular weight of 188.58 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-chloro-4-methylbenzoate is sourced from PubChem (CID 175270708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).