(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate

C19H13Cl2FO4 — CID 35765151

IUPAC(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2FO4/c20-15-5-2-6-16(18(15)21)24-11-14-7-8-17(26-14)19(23)25-10-12-3-1-4-13(22)9-12/h1-9H,10-11H2
InChIKeyOLZYLUGYUJURRR-UHFFFAOYSA-N
MW395.21 g/mol
LogP5.66
Rot. Bonds6

About (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate

(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate (PubChem CID 35765151) has the molecular formula C19H13Cl2FO4 and a molecular weight of 395.21 g/mol. Its IUPAC name is (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate.

Molecular Properties

Compound Name(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
PubChem CID35765151
Molecular FormulaC19H13Cl2FO4
Molecular Weight395.21 g/mol
Exact Mass394.02
IUPAC Name(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
SMILESO=C(OCc1cccc(F)c1)c1ccc(COc2cccc(Cl)c2Cl)o1
InChIInChI=1S/C19H13Cl2FO4/c20-15-5-2-6-16(18(15)21)24-11-14-7-8-17(26-14)19(23)25-10-12-3-1-4-13(22)9-12/h1-9H,10-11H2
InChIKeyOLZYLUGYUJURRR-UHFFFAOYSA-N
XLogP5.66
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.21
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19415847
N-(cyclopropylmethyl)-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 95756198
5-[(2,3-dichlorophenoxy)methyl]-N-(3,3-dimethyl-2-oxobutyl)furan-2-carboxamide
CID 95753507
[(Z)-[amino-(5-chloro-2-methoxyphenyl)methylidene]amino] 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate
CID 19296020
5-[(2,3-dichlorophenoxy)methyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19415701
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19393892
5-[(2,3-dichlorophenoxy)methyl]-N-[2-(difluoromethoxy)phenyl]furan-2-carboxamide
CID 19415778
(3-fluorophenyl)methyl 2-amino-4-fluorobenzoate
CID 52562632
5-[(2-chlorophenoxy)methyl]furan-2-carbonyl chloride
CID 19619567
ethyl 2-amino-3-[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]propanoate
CID 170885417
[5-[(2,3-dichlorophenoxy)methyl]furan-2-yl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329583
propan-2-yl 5-[(2-chlorophenoxy)methyl]furan-2-carboxylate
CID 19578393

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate?
The IUPAC name of (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate (CID 35765151) is (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate.
What is the SMILES notation for (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate?
The canonical SMILES for (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate is O=C(OCc1cccc(F)c1)c1ccc(COc2cccc(Cl)c2Cl)o1.
What is the InChIKey of (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate?
The InChIKey is OLZYLUGYUJURRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FO4/c20-15-5-2-6-16(18(15)21)24-11-14-7-8-17(26-14)19(23)25-10-12-3-1-4-13(22)9-12/h1-9H,10-11H2.
What are the key properties of (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate?
(3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate has a molecular weight of 395.21 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)methyl 5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxylate is sourced from PubChem (CID 35765151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).