3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene

C14H14ClFOS — CID 102884472

IUPAC3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
SMILESCOc1ccc(C(Cl)c2cc(C)sc2C)c(F)c1
InChIInChI=1S/C14H14ClFOS/c1-8-6-12(9(2)18-8)14(15)11-5-4-10(17-3)7-13(11)16/h4-7,14H,1-3H3
InChIKeyDIFYLCUNKXFYPG-UHFFFAOYSA-N
MW284.78 g/mol
LogP4.84
Rot. Bonds3

About 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene

3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene (PubChem CID 102884472) has the molecular formula C14H14ClFOS and a molecular weight of 284.78 g/mol. Its IUPAC name is 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene.

Molecular Properties

Compound Name3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
PubChem CID102884472
Molecular FormulaC14H14ClFOS
Molecular Weight284.78 g/mol
Exact Mass284.04
IUPAC Name3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene
SMILESCOc1ccc(C(Cl)c2cc(C)sc2C)c(F)c1
InChIInChI=1S/C14H14ClFOS/c1-8-6-12(9(2)18-8)14(15)11-5-4-10(17-3)7-13(11)16/h4-7,14H,1-3H3
InChIKeyDIFYLCUNKXFYPG-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.78
LogP ≤ 54.84
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

1-[chloro-(2,5-dimethylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 55197963
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-methylfuran
CID 61083480
1-(1-chloro-2,2-dimethylpropyl)-2-fluoro-4-methoxybenzene
CID 61084063
1-chloro-3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 81265241
1,3-dichloro-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]benzene
CID 63434136
2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 102884679
2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-1-benzothiophene
CID 63434554
1-[chloro-(2-ethoxy-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 102884602
(2,4-dimethoxyphenyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 61089487
1-bromo-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-4-iodobenzene
CID 114026269
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61084593
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene?
The IUPAC name of 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene (CID 102884472) is 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene.
What is the SMILES notation for 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene?
The canonical SMILES for 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene is COc1ccc(C(Cl)c2cc(C)sc2C)c(F)c1.
What is the InChIKey of 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene?
The InChIKey is DIFYLCUNKXFYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFOS/c1-8-6-12(9(2)18-8)14(15)11-5-4-10(17-3)7-13(11)16/h4-7,14H,1-3H3.
What are the key properties of 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene?
3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene has a molecular weight of 284.78 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-2,5-dimethylthiophene is sourced from PubChem (CID 102884472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).