5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene

C13H10BrClF2OS — CID 102764917

IUPAC5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(OC(F)F)cc2)sc1Cl
InChIInChI=1S/C13H10BrClF2OS/c1-7-6-10(19-12(7)15)11(14)8-2-4-9(5-3-8)18-13(16)17/h2-6,11,13H,1H3
InChIKeyDQQYIRYMEUTXDD-UHFFFAOYSA-N
MW367.64 g/mol
LogP5.80
Rot. Bonds4

About 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene

5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene (PubChem CID 102764917) has the molecular formula C13H10BrClF2OS and a molecular weight of 367.64 g/mol. Its IUPAC name is 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene.

Molecular Properties

Compound Name5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
PubChem CID102764917
Molecular FormulaC13H10BrClF2OS
Molecular Weight367.64 g/mol
Exact Mass365.93
IUPAC Name5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene
SMILESCc1cc(C(Br)c2ccc(OC(F)F)cc2)sc1Cl
InChIInChI=1S/C13H10BrClF2OS/c1-7-6-10(19-12(7)15)11(14)8-2-4-9(5-3-8)18-13(16)17/h2-6,11,13H,1H3
InChIKeyDQQYIRYMEUTXDD-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 55.80
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

(5-chloro-4-methylthiophen-2-yl)-[4-(difluoromethoxy)phenyl]methanamine
CID 102763534
5-[bromo-(4-propan-2-ylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764996
2-bromo-5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-3-chlorothiophene
CID 80532648
5-[bromo-(4-propan-2-yloxyphenyl)methyl]-2,3-dimethylthiophene
CID 65237949
4-[bromo-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764905
5-[bromo-(5-chlorothiophen-2-yl)methyl]-2-chloro-3-methylthiophene
CID 102764894
3-bromo-5-[chloro-[4-(difluoromethoxy)phenyl]methyl]-2-methylthiophene
CID 102835667
5-[bromo-(4-bromo-2-methylphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764936
5-[bromo-(2-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764907
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037
5-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2-chloro-3-methylthiophene
CID 102764930
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
CID 102764820

Frequently Asked Questions

What is the IUPAC name of 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene?
The IUPAC name of 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene (CID 102764917) is 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene.
What is the SMILES notation for 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene?
The canonical SMILES for 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene is Cc1cc(C(Br)c2ccc(OC(F)F)cc2)sc1Cl.
What is the InChIKey of 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene?
The InChIKey is DQQYIRYMEUTXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClF2OS/c1-7-6-10(19-12(7)15)11(14)8-2-4-9(5-3-8)18-13(16)17/h2-6,11,13H,1H3.
What are the key properties of 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene?
5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene has a molecular weight of 367.64 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-2-chloro-3-methylthiophene is sourced from PubChem (CID 102764917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).