2-[chloro-(3,4-difluorophenyl)methyl]thiophene

C11H7ClF2S — CID 61086178

IUPAC2-[chloro-(3,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cccs2)cc1F
InChIInChI=1S/C11H7ClF2S/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h1-6,11H
InChIKeyZWIMCZXUYSGUDT-UHFFFAOYSA-N
MW244.69 g/mol
LogP4.35
Rot. Bonds2

About 2-[chloro-(3,4-difluorophenyl)methyl]thiophene

2-[chloro-(3,4-difluorophenyl)methyl]thiophene (PubChem CID 61086178) has the molecular formula C11H7ClF2S and a molecular weight of 244.69 g/mol. Its IUPAC name is 2-[chloro-(3,4-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name2-[chloro-(3,4-difluorophenyl)methyl]thiophene
PubChem CID61086178
Molecular FormulaC11H7ClF2S
Molecular Weight244.69 g/mol
Exact Mass243.99
IUPAC Name2-[chloro-(3,4-difluorophenyl)methyl]thiophene
SMILESFc1ccc(C(Cl)c2cccs2)cc1F
InChIInChI=1S/C11H7ClF2S/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h1-6,11H
InChIKeyZWIMCZXUYSGUDT-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 54.35
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

N-[1-(3,4-difluorophenyl)ethyl]-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 43722970
1,3-dichloro-5-[chloro-(3,4-difluorophenyl)methyl]benzene
CID 63431317
2-[chloro-(3,4-difluorophenyl)methyl]-3-methoxythiophene
CID 81124018
4-[chloro-(3,4-difluorophenyl)methyl]-1-fluoro-2-methylbenzene
CID 63431448
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
(S)-(3-chloro-4-fluorophenyl)-thiophen-2-ylmethanol
CID 95011849
1-(3,4-difluorophenyl)-2-[methyl(1-thiophen-2-ylethyl)amino]ethanol
CID 110897675
1-[chloro-(3,4-difluorophenyl)methyl]-2,3,4,5,6-pentamethylbenzene
CID 63429317
3-chloro-2-[chloro-(3,4-difluorophenyl)methyl]-4-methylthiophene
CID 103404573
2,5-dichloro-3-[chloro-(3,4-difluorophenyl)methyl]thiophene
CID 63436785
5-[chloro(thiophen-2-yl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 61084642
1-[chloro-(3,4-difluorophenyl)methyl]-2,3-dimethylbenzene
CID 63431750

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The IUPAC name of 2-[chloro-(3,4-difluorophenyl)methyl]thiophene (CID 61086178) is 2-[chloro-(3,4-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 2-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The canonical SMILES for 2-[chloro-(3,4-difluorophenyl)methyl]thiophene is Fc1ccc(C(Cl)c2cccs2)cc1F.
What is the InChIKey of 2-[chloro-(3,4-difluorophenyl)methyl]thiophene?
The InChIKey is ZWIMCZXUYSGUDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2S/c12-11(10-2-1-5-15-10)7-3-4-8(13)9(14)6-7/h1-6,11H.
What are the key properties of 2-[chloro-(3,4-difluorophenyl)methyl]thiophene?
2-[chloro-(3,4-difluorophenyl)methyl]thiophene has a molecular weight of 244.69 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(3,4-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 61086178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).