3-[chloro-(2,5-difluorophenyl)methyl]thiophene

C11H7ClF2S — CID 61085350

IUPAC3-[chloro-(2,5-difluorophenyl)methyl]thiophene
SMILESFc1ccc(F)c(C(Cl)c2ccsc2)c1
InChIInChI=1S/C11H7ClF2S/c12-11(7-3-4-15-6-7)9-5-8(13)1-2-10(9)14/h1-6,11H
InChIKeySZCVVGUTKUDVHY-UHFFFAOYSA-N
MW244.69 g/mol
LogP4.35
Rot. Bonds2

About 3-[chloro-(2,5-difluorophenyl)methyl]thiophene

3-[chloro-(2,5-difluorophenyl)methyl]thiophene (PubChem CID 61085350) has the molecular formula C11H7ClF2S and a molecular weight of 244.69 g/mol. Its IUPAC name is 3-[chloro-(2,5-difluorophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-[chloro-(2,5-difluorophenyl)methyl]thiophene
PubChem CID61085350
Molecular FormulaC11H7ClF2S
Molecular Weight244.69 g/mol
Exact Mass243.99
IUPAC Name3-[chloro-(2,5-difluorophenyl)methyl]thiophene
SMILESFc1ccc(F)c(C(Cl)c2ccsc2)c1
InChIInChI=1S/C11H7ClF2S/c12-11(7-3-4-15-6-7)9-5-8(13)1-2-10(9)14/h1-6,11H
InChIKeySZCVVGUTKUDVHY-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

(2,5-difluorophenyl)-thiophen-3-ylmethanol
CID 61099759
1-bromo-3-[chloro-(2,5-difluorophenyl)methyl]-5-fluorobenzene
CID 63430531
1-[chloro-(2,5-difluorophenyl)methyl]-2,3,4,5,6-pentafluorobenzene
CID 63429945
1-chloro-4-[chloro-(2,5-difluorophenyl)methyl]-2,5-difluorobenzene
CID 82771504
2,4-dichloro-1-[chloro-(2,5-difluorophenyl)methyl]benzene
CID 63430449
2,5-dichloro-3-[chloro-(2,5-difluorophenyl)methyl]thiophene
CID 107964463
2-(1-chloroethyl)-1,4-difluorobenzene
CID 43114942
(R)-[5-fluoro-2-(trifluoromethyl)phenyl]-thiophen-3-ylmethanamine;hydrochloride
CID 171228701
2-[chloro-[3-(difluoromethoxy)phenyl]methyl]-1,4-difluorobenzene
CID 61084726
3-[chloro-(2,5-dibromo-4-methylphenyl)methyl]thiophene
CID 81474189
2-(2,5-difluorophenoxy)-2-thiophen-3-ylethanamine
CID 63268980
(R)-(5-bromo-2-fluorophenyl)-thiophen-3-ylmethanamine;hydrochloride
CID 171220162

Frequently Asked Questions

What is the IUPAC name of 3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The IUPAC name of 3-[chloro-(2,5-difluorophenyl)methyl]thiophene (CID 61085350) is 3-[chloro-(2,5-difluorophenyl)methyl]thiophene.
What is the SMILES notation for 3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The canonical SMILES for 3-[chloro-(2,5-difluorophenyl)methyl]thiophene is Fc1ccc(F)c(C(Cl)c2ccsc2)c1.
What is the InChIKey of 3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
The InChIKey is SZCVVGUTKUDVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClF2S/c12-11(7-3-4-15-6-7)9-5-8(13)1-2-10(9)14/h1-6,11H.
What are the key properties of 3-[chloro-(2,5-difluorophenyl)methyl]thiophene?
3-[chloro-(2,5-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 3-[chloro-(2,5-difluorophenyl)methyl]thiophene is sourced from PubChem (CID 61085350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).