3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene

C12H8Cl2F2OS — CID 80530289

IUPAC3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
SMILESFC(F)Oc1ccccc1C(Cl)c1sccc1Cl
InChIInChI=1S/C12H8Cl2F2OS/c13-8-5-6-18-11(8)10(14)7-3-1-2-4-9(7)17-12(15)16/h1-6,10,12H
InChIKeyKQABLWVSVTXPRG-UHFFFAOYSA-N
MW309.16 g/mol
LogP5.33
Rot. Bonds4

About 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene

3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene (PubChem CID 80530289) has the molecular formula C12H8Cl2F2OS and a molecular weight of 309.16 g/mol. Its IUPAC name is 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene.

Molecular Properties

Compound Name3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
PubChem CID80530289
Molecular FormulaC12H8Cl2F2OS
Molecular Weight309.16 g/mol
Exact Mass307.96
IUPAC Name3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene
SMILESFC(F)Oc1ccccc1C(Cl)c1sccc1Cl
InChIInChI=1S/C12H8Cl2F2OS/c13-8-5-6-18-11(8)10(14)7-3-1-2-4-9(7)17-12(15)16/h1-6,10,12H
InChIKeyKQABLWVSVTXPRG-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.16
LogP ≤ 55.33
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

N-[(3-chlorothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methyl]propan-1-amine
CID 80528847
(3-bromothiophen-2-yl)-[2-(difluoromethoxy)phenyl]methanamine
CID 80535218
1-(1-chloroethyl)-2-(difluoromethoxy)benzene
CID 43114935
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084727
2-[chloro-[2-(difluoromethoxy)phenyl]methyl]-1,3,5-trifluorobenzene
CID 63430465
3-[chloro-[2-(difluoromethoxy)phenyl]methyl]-2,5-dimethylthiophene
CID 55199092
N-[(3-chlorothiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 105018339
3-chloro-2-[chloro-(2-fluoro-4-methylphenyl)methyl]thiophene
CID 80530320
1-[bromo-[2-(difluoromethoxy)phenyl]methyl]-2-chloro-4,5-difluorobenzene
CID 107477463
3-chloro-2-[chloro-(2-fluoro-5-methylphenyl)methyl]thiophene
CID 80530635
3-chloro-2-[chloro-(2-chloro-4-methylphenyl)methyl]thiophene
CID 106863217
1-chloro-2-[2-chloro-2-[2-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518476

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene?
The IUPAC name of 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene (CID 80530289) is 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene.
What is the SMILES notation for 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene?
The canonical SMILES for 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene is FC(F)Oc1ccccc1C(Cl)c1sccc1Cl.
What is the InChIKey of 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene?
The InChIKey is KQABLWVSVTXPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2OS/c13-8-5-6-18-11(8)10(14)7-3-1-2-4-9(7)17-12(15)16/h1-6,10,12H.
What are the key properties of 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene?
3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene has a molecular weight of 309.16 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[chloro-[2-(difluoromethoxy)phenyl]methyl]thiophene is sourced from PubChem (CID 80530289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).