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

C13H11Cl2FS — CID 102764820

IUPAC2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)ccc1F
InChIInChI=1S/C13H11Cl2FS/c1-7-5-9(3-4-10(7)16)12(14)11-6-8(2)13(15)17-11/h3-6,12H,1-2H3
InChIKeyOYDJKFGJVNIBBC-UHFFFAOYSA-N
MW289.20 g/mol
LogP5.49
Rot. Bonds2

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

2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene (PubChem CID 102764820) has the molecular formula C13H11Cl2FS and a molecular weight of 289.20 g/mol. Its IUPAC name is 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene.

Molecular Properties

Compound Name2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
PubChem CID102764820
Molecular FormulaC13H11Cl2FS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene
SMILESCc1cc(C(Cl)c2cc(C)c(Cl)s2)ccc1F
InChIInChI=1S/C13H11Cl2FS/c1-7-5-9(3-4-10(7)16)12(14)11-6-8(2)13(15)17-11/h3-6,12H,1-2H3
InChIKeyOYDJKFGJVNIBBC-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.20
LogP ≤ 55.49
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

(5-chloro-4-methylthiophen-2-yl)-(4-fluoro-3-methylphenyl)methanol
CID 102764444
2-chloro-5-[chloro-(3-chlorophenyl)methyl]-3-methylthiophene
CID 102764699
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-chloro-5-[chloro-(5-chloro-2-methylphenyl)methyl]-3-methylthiophene
CID 102764694
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene
CID 79747150
(3-chloro-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanol
CID 102764385
4-[chloro-(5-chloro-4-methylthiophen-2-yl)methyl]-2-methylfuran
CID 102764651
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
(3-bromo-4-fluorophenyl)-(5-chloro-4-methylthiophen-2-yl)methanamine
CID 107950955
2-[chloro-(4-fluoro-3-methylphenyl)methyl]-1,3,5-trifluorobenzene
CID 55200409
(5-chloro-4-methylthiophen-2-yl)-(4-fluorophenyl)methanamine
CID 102763514
5-[bromo-(2,3,4-trifluorophenyl)methyl]-2-chloro-3-methylthiophene
CID 102765037

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene?
The IUPAC name of 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene (CID 102764820) is 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene.
What is the SMILES notation for 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene?
The canonical SMILES for 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene is Cc1cc(C(Cl)c2cc(C)c(Cl)s2)ccc1F.
What is the InChIKey of 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene?
The InChIKey is OYDJKFGJVNIBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2FS/c1-7-5-9(3-4-10(7)16)12(14)11-6-8(2)13(15)17-11/h3-6,12H,1-2H3.
What are the key properties of 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene?
2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene has a molecular weight of 289.20 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[chloro-(4-fluoro-3-methylphenyl)methyl]-3-methylthiophene is sourced from PubChem (CID 102764820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).