2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran

C14H14ClFO — CID 79747562

IUPAC2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14ClFO/c1-3-11-5-7-13(17-11)14(15)10-4-6-12(16)9(2)8-10/h4-8,14H,3H2,1-2H3
InChIKeyZJAYTEVVSDLSMI-UHFFFAOYSA-N
MW252.72 g/mol
LogP4.62
Rot. Bonds3

About 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran

2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran (PubChem CID 79747562) has the molecular formula C14H14ClFO and a molecular weight of 252.72 g/mol. Its IUPAC name is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran.

Molecular Properties

Compound Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
PubChem CID79747562
Molecular FormulaC14H14ClFO
Molecular Weight252.72 g/mol
Exact Mass252.07
IUPAC Name2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran
SMILESCCc1ccc(C(Cl)c2ccc(F)c(C)c2)o1
InChIInChI=1S/C14H14ClFO/c1-3-11-5-7-13(17-11)14(15)10-4-6-12(16)9(2)8-10/h4-8,14H,3H2,1-2H3
InChIKeyZJAYTEVVSDLSMI-UHFFFAOYSA-N
XLogP4.62
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-ethylfuran-2-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 63210049
6-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 79083570
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
4-[chloro-(4-propylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 55199662
5-[chloro-(5-ethylfuran-2-yl)methyl]-2,3-dihydro-1-benzofuran
CID 79084634
2-[chloro-(2,3,4,5,6-pentamethylphenyl)methyl]-5-ethylfuran
CID 79084543
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
2-[chloro-[2,4-di(propan-2-yl)phenyl]methyl]-5-ethylfuran
CID 79096016
4-[chloro-(2-fluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747229
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
[(2,6-difluoro-3-methylphenyl)-(5-ethylfuran-2-yl)methyl]hydrazine
CID 105330265

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran?
The IUPAC name of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran (CID 79747562) is 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran.
What is the SMILES notation for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran?
The canonical SMILES for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran is CCc1ccc(C(Cl)c2ccc(F)c(C)c2)o1.
What is the InChIKey of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran?
The InChIKey is ZJAYTEVVSDLSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFO/c1-3-11-5-7-13(17-11)14(15)10-4-6-12(16)9(2)8-10/h4-8,14H,3H2,1-2H3.
What are the key properties of 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran?
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran has a molecular weight of 252.72 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5-ethylfuran is sourced from PubChem (CID 79747562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).