(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate

C18H10ClFO3 — CID 39199802

IUPAC(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate
SMILESO=Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C18H10ClFO3/c19-14-6-3-7-15(20)17(14)18(22)23-16-9-8-11-4-1-2-5-12(11)13(16)10-21/h1-10H
InChIKeyJNVLEVNCKIFZMT-UHFFFAOYSA-N
MW328.73 g/mol
LogP4.66
Rot. Bonds3

About (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate

(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate (PubChem CID 39199802) has the molecular formula C18H10ClFO3 and a molecular weight of 328.73 g/mol. Its IUPAC name is (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate
PubChem CID39199802
Molecular FormulaC18H10ClFO3
Molecular Weight328.73 g/mol
Exact Mass328.03
IUPAC Name(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate
SMILESO=Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2ccccc12
InChIInChI=1S/C18H10ClFO3/c19-14-6-3-7-15(20)17(14)18(22)23-16-9-8-11-4-1-2-5-12(11)13(16)10-21/h1-10H
InChIKeyJNVLEVNCKIFZMT-UHFFFAOYSA-N
XLogP4.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.73
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-formylnaphthalen-2-yl) 2-fluorobenzoate
CID 40567233
(1-formylnaphthalen-2-yl) acetate
CID 2063426
(1-formylnaphthalen-2-yl) 2,2,2-trichloroacetate
CID 39199916
(1-formylnaphthalen-2-yl) 4-methoxybenzoate
CID 4778907
(2-formyl-6-methoxyphenyl) 2-chloro-6-fluorobenzoate
CID 39199800
2-chloronaphthalene-1-carbaldehyde
CID 19065818
[2-(hydroxymethyl)-4-nitrophenyl] 2-chloro-6-fluorobenzoate
CID 165354265
(1-formylnaphthalen-2-yl) 4-amino-2-hydroxybenzoate
CID 175352459
N-[(4-chlorophenyl)methyl]-2-(1-formylnaphthalen-2-yl)oxyacetamide
CID 7763455
propyl 2-chloro-6-fluorobenzoate
CID 43389524
[1-[(2-chlorophenyl)iminomethyl]naphthalen-2-yl] 2,4-dichlorobenzoate
CID 3950984
[(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-6-fluorobenzoate
CID 7820596

Frequently Asked Questions

What is the IUPAC name of (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate?
The IUPAC name of (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate (CID 39199802) is (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate.
What is the SMILES notation for (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate?
The canonical SMILES for (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate is O=Cc1c(OC(=O)c2c(F)cccc2Cl)ccc2ccccc12.
What is the InChIKey of (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate?
The InChIKey is JNVLEVNCKIFZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFO3/c19-14-6-3-7-15(20)17(14)18(22)23-16-9-8-11-4-1-2-5-12(11)13(16)10-21/h1-10H.
What are the key properties of (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate?
(1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate has a molecular weight of 328.73 g/mol, XLogP of 4.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-formylnaphthalen-2-yl) 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 39199802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).