(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

C14H12ClFO2 — CID 105396746

IUPAC(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc(F)ccc2Cl)c1C
InChIInChI=1S/C14H12ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(16)4-5-12(11)15/h4-6H,1-3H3
InChIKeyMONPEIDZDGXVII-UHFFFAOYSA-N
MW266.70 g/mol
LogP4.23
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone

(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (PubChem CID 105396746) has the molecular formula C14H12ClFO2 and a molecular weight of 266.70 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
PubChem CID105396746
Molecular FormulaC14H12ClFO2
Molecular Weight266.70 g/mol
Exact Mass266.05
IUPAC Name(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
SMILESCc1oc(C)c(C(=O)c2cc(F)ccc2Cl)c1C
InChIInChI=1S/C14H12ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(16)4-5-12(11)15/h4-6H,1-3H3
InChIKeyMONPEIDZDGXVII-UHFFFAOYSA-N
XLogP4.23
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.70
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151835
2-(2-chloro-4-fluorophenyl)-3-oxo-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 65152993
6-chloro-5-(2,4,5-trimethylfuran-3-carbonyl)-1,3-dihydroindol-2-one
CID 65151637
2-chloro-1-(2-chloro-5-fluorophenyl)propan-1-one
CID 118804223
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
(2-chloro-5-fluorophenyl)-(2-chlorofuran-3-yl)methanone
CID 106691354
1-(2-chloro-5-fluorophenyl)-2-methylpropan-1-one
CID 105394181
(4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151683
N-(3,4-dichlorophenyl)-2,4,5-trimethylfuran-3-carboxamide
CID 26719667
[3-fluoro-4-(trifluoromethyl)phenyl]-(2,4,5-trimethylfuran-3-yl)methanone
CID 107291275
naphthalen-1-yl-(2,4,5-trimethylfuran-3-yl)methanone
CID 65151492
2-(2-chloro-5-fluorophenyl)-2-oxoacetic acid
CID 117291128

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The IUPAC name of (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone (CID 105396746) is (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is Cc1oc(C)c(C(=O)c2cc(F)ccc2Cl)c1C.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
The InChIKey is MONPEIDZDGXVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2/c1-7-8(2)18-9(3)13(7)14(17)11-6-10(16)4-5-12(11)15/h4-6H,1-3H3.
What are the key properties of (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone?
(2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone has a molecular weight of 266.70 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanone is sourced from PubChem (CID 105396746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).