fluoro 3-chloro-4-ethylbenzoate

C9H8ClFO2 — CID 175246982

IUPACfluoro 3-chloro-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OF)cc1Cl
InChIInChI=1S/C9H8ClFO2/c1-2-6-3-4-7(5-8(6)10)9(12)13-11/h3-5H,2H2,1H3
InChIKeyCVVAFCCFPRCMMV-UHFFFAOYSA-N
MW202.61 g/mol
LogP2.94
Rot. Bonds2

About fluoro 3-chloro-4-ethylbenzoate

fluoro 3-chloro-4-ethylbenzoate (PubChem CID 175246982) has the molecular formula C9H8ClFO2 and a molecular weight of 202.61 g/mol. Its IUPAC name is fluoro 3-chloro-4-ethylbenzoate.

Molecular Properties

Compound Namefluoro 3-chloro-4-ethylbenzoate
PubChem CID175246982
Molecular FormulaC9H8ClFO2
Molecular Weight202.61 g/mol
Exact Mass202.02
IUPAC Namefluoro 3-chloro-4-ethylbenzoate
SMILESCCc1ccc(C(=O)OF)cc1Cl
InChIInChI=1S/C9H8ClFO2/c1-2-6-3-4-7(5-8(6)10)9(12)13-11/h3-5H,2H2,1H3
InChIKeyCVVAFCCFPRCMMV-UHFFFAOYSA-N
XLogP2.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.61
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoro 4-(3-chloropropoxy)-3-ethylbenzoate
CID 174466899
methyl 3-(3-chloro-4-ethylphenyl)benzoate
CID 71020930
methyl 3-chloro-4-(isocyanomethyl)benzoate
CID 156627276
4-(3-chloro-4-ethylphenyl)-4-methoxyiminobutanoic acid
CID 90932224
(3-chloro-4-ethylphenyl)-piperazin-1-ylmethanone
CID 82554254
1-[3-chloro-4-(hydroxymethyl)phenyl]propan-1-one
CID 118818873
3-chloro-4-[(4-ethylphenoxy)methyl]benzamide
CID 102670675
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
methyl 3-chloro-4-(pyrrolidin-1-ylmethyl)benzoate
CID 21182738
3-chloro-4-(ethylaminomethyl)benzoic acid
CID 117219883
4-butyl-3-chlorobenzoic acid
CID 90111981
fluoro 2-(2,4-dichlorophenyl)acetate
CID 144704595

Frequently Asked Questions

What is the IUPAC name of fluoro 3-chloro-4-ethylbenzoate?
The IUPAC name of fluoro 3-chloro-4-ethylbenzoate (CID 175246982) is fluoro 3-chloro-4-ethylbenzoate.
What is the SMILES notation for fluoro 3-chloro-4-ethylbenzoate?
The canonical SMILES for fluoro 3-chloro-4-ethylbenzoate is CCc1ccc(C(=O)OF)cc1Cl.
What is the InChIKey of fluoro 3-chloro-4-ethylbenzoate?
The InChIKey is CVVAFCCFPRCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO2/c1-2-6-3-4-7(5-8(6)10)9(12)13-11/h3-5H,2H2,1H3.
What are the key properties of fluoro 3-chloro-4-ethylbenzoate?
fluoro 3-chloro-4-ethylbenzoate has a molecular weight of 202.61 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-chloro-4-ethylbenzoate is sourced from PubChem (CID 175246982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).