2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene

C12H7Cl3F2OS — CID 63436738

IUPAC2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
SMILESFC(F)Oc1cccc(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl3F2OS/c13-9-5-8(11(15)19-9)10(14)6-2-1-3-7(4-6)18-12(16)17/h1-5,10,12H
InChIKeyBEEOYFCALHSXBS-UHFFFAOYSA-N
MW343.61 g/mol
LogP5.98
Rot. Bonds4

About 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene

2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene (PubChem CID 63436738) has the molecular formula C12H7Cl3F2OS and a molecular weight of 343.61 g/mol. Its IUPAC name is 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene.

Molecular Properties

Compound Name2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
PubChem CID63436738
Molecular FormulaC12H7Cl3F2OS
Molecular Weight343.61 g/mol
Exact Mass341.93
IUPAC Name2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene
SMILESFC(F)Oc1cccc(C(Cl)c2cc(Cl)sc2Cl)c1
InChIInChI=1S/C12H7Cl3F2OS/c13-9-5-8(11(15)19-9)10(14)6-2-1-3-7(4-6)18-12(16)17/h1-5,10,12H
InChIKeyBEEOYFCALHSXBS-UHFFFAOYSA-N
XLogP5.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.61
LogP ≤ 55.98
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

2,5-dichloro-3-[chloro-(3-fluorophenyl)methyl]thiophene
CID 63436522
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
(2,5-dichlorothiophen-3-yl)-(3-propan-2-yloxyphenyl)methanol
CID 62919997
(2,5-dichlorothiophen-3-yl)-[3-(trifluoromethoxy)phenyl]methanol
CID 107969653
2,5-dichloro-3-[chloro-(3,5-dimethoxyphenyl)methyl]thiophene
CID 63436479
(4-bromo-5-chlorothiophen-2-yl)-[3-(difluoromethoxy)phenyl]methanamine
CID 102828102
2,5-dichloro-3-[chloro-(4-fluorophenyl)methyl]thiophene
CID 63436472
1-[chloro-[3-(difluoromethoxy)phenyl]methyl]-4-ethylbenzene
CID 63431932
3-[bromo-(3-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 55197831
N-[1-(5-chlorothiophen-3-yl)ethyl]-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 102976414
2,5-dichloro-3-[chloro-(4-methylphenyl)methyl]thiophene
CID 63436429

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene?
The IUPAC name of 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene (CID 63436738) is 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene.
What is the SMILES notation for 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene?
The canonical SMILES for 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene is FC(F)Oc1cccc(C(Cl)c2cc(Cl)sc2Cl)c1.
What is the InChIKey of 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene?
The InChIKey is BEEOYFCALHSXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3F2OS/c13-9-5-8(11(15)19-9)10(14)6-2-1-3-7(4-6)18-12(16)17/h1-5,10,12H.
What are the key properties of 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene?
2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene has a molecular weight of 343.61 g/mol, XLogP of 5.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-3-[chloro-[3-(difluoromethoxy)phenyl]methyl]thiophene is sourced from PubChem (CID 63436738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).