2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene

C13H11ClF2OS — CID 81124184

IUPAC2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Cl)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H11ClF2OS/c1-7-5-10(16)8(6-9(7)15)12(14)13-11(17-2)3-4-18-13/h3-6,12H,1-2H3
InChIKeyXARFQOHXNVITPR-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.67
Rot. Bonds3

About 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene

2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene (PubChem CID 81124184) has the molecular formula C13H11ClF2OS and a molecular weight of 288.75 g/mol. Its IUPAC name is 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene.

Molecular Properties

Compound Name2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
PubChem CID81124184
Molecular FormulaC13H11ClF2OS
Molecular Weight288.75 g/mol
Exact Mass288.02
IUPAC Name2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene
SMILESCOc1ccsc1C(Cl)c1cc(F)c(C)cc1F
InChIInChI=1S/C13H11ClF2OS/c1-7-5-10(16)8(6-9(7)15)12(14)13-11(17-2)3-4-18-13/h3-6,12H,1-2H3
InChIKeyXARFQOHXNVITPR-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(4-fluoro-3,5-dimethylphenyl)methyl]-3-methoxythiophene
CID 81124104
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
1-(2-chloro-4-fluoro-5-methylphenyl)-1-(3-methoxythiophen-2-yl)-N-methylmethanamine
CID 81122406
1-[chloro-(3-fluoro-4-methylphenyl)methyl]-2-fluoro-4,5-dimethoxybenzene
CID 62865699
(3-chlorothiophen-2-yl)-(2,5-difluoro-4-methylphenyl)methanamine
CID 80644112
2-[(3-bromo-2,4,6-trimethylphenyl)-chloromethyl]-3-methoxythiophene
CID 114249330
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635
[(4-fluoro-3-methylphenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105302690
2-[1-chloro-2-(3,4-difluorophenyl)ethyl]-3-methoxythiophene
CID 81129991
(3-chlorothiophen-2-yl)-(2,4-difluoro-5-methylphenyl)methanol
CID 80641878
(2,6-difluoro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126581
[(2,4-difluorophenyl)-(3-methoxythiophen-2-yl)methyl]hydrazine
CID 105303283

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene?
The IUPAC name of 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene (CID 81124184) is 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene.
What is the SMILES notation for 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene?
The canonical SMILES for 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene is COc1ccsc1C(Cl)c1cc(F)c(C)cc1F.
What is the InChIKey of 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene?
The InChIKey is XARFQOHXNVITPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2OS/c1-7-5-10(16)8(6-9(7)15)12(14)13-11(17-2)3-4-18-13/h3-6,12H,1-2H3.
What are the key properties of 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene?
2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene has a molecular weight of 288.75 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(2,5-difluoro-4-methylphenyl)methyl]-3-methoxythiophene is sourced from PubChem (CID 81124184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).