2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene

C14H14BrFOS — CID 81284879

IUPAC2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(F)c(OC)c2)s1
InChIInChI=1S/C14H14BrFOS/c1-3-10-5-7-13(18-10)14(15)9-4-6-11(16)12(8-9)17-2/h4-8,14H,3H2,1-2H3
InChIKeyNANYBSDRZLDGIC-UHFFFAOYSA-N
MW329.23 g/mol
LogP4.94
Rot. Bonds4

About 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene

2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene (PubChem CID 81284879) has the molecular formula C14H14BrFOS and a molecular weight of 329.23 g/mol. Its IUPAC name is 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene.

Molecular Properties

Compound Name2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
PubChem CID81284879
Molecular FormulaC14H14BrFOS
Molecular Weight329.23 g/mol
Exact Mass327.99
IUPAC Name2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene
SMILESCCc1ccc(C(Br)c2ccc(F)c(OC)c2)s1
InChIInChI=1S/C14H14BrFOS/c1-3-10-5-7-13(18-10)14(15)9-4-6-11(16)12(8-9)17-2/h4-8,14H,3H2,1-2H3
InChIKeyNANYBSDRZLDGIC-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.23
LogP ≤ 54.94
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-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-ethylthiophene
CID 63435339
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81285176
2-[bromo-(3-chloro-4-methylphenyl)methyl]-5-ethylthiophene
CID 63439491
2-[bromo-(2-chloro-4,5-difluorophenyl)methyl]-5-ethylthiophene
CID 107477597
(3,4-dimethoxyphenyl)-(5-ethylthiophen-2-yl)methanamine
CID 43198261
4-[bromo-(4-butylphenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81289241
4-(diethoxymethyl)-1-fluoro-2-methoxybenzene
CID 146004738
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
2-[bromo-(5-methylthiophen-3-yl)methyl]-5-ethylthiophene
CID 130763345
2-[bromo-(4-fluoro-2,6-dimethylphenyl)methyl]-5-ethylthiophene
CID 106880074
4-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1-fluoro-2-methoxybenzene
CID 81289235
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene?
The IUPAC name of 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene (CID 81284879) is 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene.
What is the SMILES notation for 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene?
The canonical SMILES for 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene is CCc1ccc(C(Br)c2ccc(F)c(OC)c2)s1.
What is the InChIKey of 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene?
The InChIKey is NANYBSDRZLDGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrFOS/c1-3-10-5-7-13(18-10)14(15)9-4-6-11(16)12(8-9)17-2/h4-8,14H,3H2,1-2H3.
What are the key properties of 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene?
2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene has a molecular weight of 329.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-5-ethylthiophene is sourced from PubChem (CID 81284879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).