methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate

C13H10ClFO4 — CID 106945940

IUPACmethyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2c(F)cccc2Cl)o1
InChIInChI=1S/C13H10ClFO4/c1-18-13(17)10-6-5-9(19-10)12(16)11-7(14)3-2-4-8(11)15/h2-6,12,16H,1H3
InChIKeyJEIWLFGKEGOFSF-UHFFFAOYSA-N
MW284.67 g/mol
LogP2.94
Rot. Bonds3

About methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate

methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate (PubChem CID 106945940) has the molecular formula C13H10ClFO4 and a molecular weight of 284.67 g/mol. Its IUPAC name is methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate
PubChem CID106945940
Molecular FormulaC13H10ClFO4
Molecular Weight284.67 g/mol
Exact Mass284.03
IUPAC Namemethyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(O)c2c(F)cccc2Cl)o1
InChIInChI=1S/C13H10ClFO4/c1-18-13(17)10-6-5-9(19-10)12(16)11-7(14)3-2-4-8(11)15/h2-6,12,16H,1H3
InChIKeyJEIWLFGKEGOFSF-UHFFFAOYSA-N
XLogP2.94
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.67
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-[(3-chloro-2-methylphenyl)-hydroxymethyl]furan-2-carboxylate
CID 107103555
methyl 5-[(3,4-dichlorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945920
methyl 5-[(3,4-difluorophenyl)-hydroxymethyl]furan-2-carboxylate
CID 106945966
methyl 5-[hydroxy(phenyl)methyl]furan-2-carboxylate
CID 86175043
methyl 5-[(2-bromo-6-fluorophenyl)-(ethylamino)methyl]furan-2-carboxylate
CID 114559116
methyl 5-[(5-bromofuran-2-yl)-hydroxymethyl]furan-2-carboxylate
CID 106945906
methyl 5-[1-(3-chloro-4-fluorophenoxy)ethyl]furan-2-carboxylate
CID 79084598
methyl 5-(1-chloroethyl)furan-2-carboxylate
CID 43810601
methyl 5-[(4-chloro-3-fluorophenyl)-(methylamino)methyl]furan-2-carboxylate
CID 107998878
(2-chloro-6-fluorophenyl)-(2,6-difluoro-4-methoxyphenyl)methanol
CID 61099448
methyl 5-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]furan-2-carboxylate
CID 106945947
methyl 5-[1-(2-amino-6-chlorophenyl)sulfanylethyl]furan-2-carboxylate
CID 79084689

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate (CID 106945940) is methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate is COC(=O)c1ccc(C(O)c2c(F)cccc2Cl)o1.
What is the InChIKey of methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate?
The InChIKey is JEIWLFGKEGOFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO4/c1-18-13(17)10-6-5-9(19-10)12(16)11-7(14)3-2-4-8(11)15/h2-6,12,16H,1H3.
What are the key properties of methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate?
methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate has a molecular weight of 284.67 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-chloro-6-fluorophenyl)-hydroxymethyl]furan-2-carboxylate is sourced from PubChem (CID 106945940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).