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

C12H9ClF2S — CID 63016253

IUPAC3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
SMILESFc1cc(F)cc(C(Cl)Cc2ccsc2)c1
InChIInChI=1S/C12H9ClF2S/c13-12(3-8-1-2-16-7-8)9-4-10(14)6-11(15)5-9/h1-2,4-7,12H,3H2
InChIKeyHHJASRWMPJWXLU-UHFFFAOYSA-N
MW258.72 g/mol
LogP4.55
Rot. Bonds3

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

3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene (PubChem CID 63016253) has the molecular formula C12H9ClF2S and a molecular weight of 258.72 g/mol. Its IUPAC name is 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene.

Molecular Properties

Compound Name3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
PubChem CID63016253
Molecular FormulaC12H9ClF2S
Molecular Weight258.72 g/mol
Exact Mass258.01
IUPAC Name3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
SMILESFc1cc(F)cc(C(Cl)Cc2ccsc2)c1
InChIInChI=1S/C12H9ClF2S/c13-12(3-8-1-2-16-7-8)9-4-10(14)6-11(15)5-9/h1-2,4-7,12H,3H2
InChIKeyHHJASRWMPJWXLU-UHFFFAOYSA-N
XLogP4.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.72
LogP ≤ 54.55
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

3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
N-[1-(3,5-difluorophenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61079665
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63017182
1-(3-fluorophenyl)-2-thiophen-3-ylethanol
CID 62607958
1-[1-chloro-2-(3-methylphenyl)ethyl]-3,5-difluorobenzene
CID 63542357
2-(3,5-difluorophenyl)-1-thiophen-3-ylethanol
CID 65099650
2,5-dichloro-3-(1-chloro-2-thiophen-3-ylethyl)thiophene
CID 107965730
3-[2-chloro-2-(2-methylsulfanylphenyl)ethyl]thiophene
CID 79205323
1-(3-chloro-4-fluorophenyl)-2-thiophen-3-ylethanol
CID 63094329
3-(1-chloro-2-thiophen-3-ylethyl)-2,4,5-trimethylfuran
CID 65152447
N-ethyl-1-(3-fluorophenyl)-2-thiophen-3-ylethanamine
CID 61078915

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene?
The IUPAC name of 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene (CID 63016253) is 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene.
What is the SMILES notation for 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene?
The canonical SMILES for 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene is Fc1cc(F)cc(C(Cl)Cc2ccsc2)c1.
What is the InChIKey of 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene?
The InChIKey is HHJASRWMPJWXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF2S/c13-12(3-8-1-2-16-7-8)9-4-10(14)6-11(15)5-9/h1-2,4-7,12H,3H2.
What are the key properties of 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene?
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene has a molecular weight of 258.72 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene is sourced from PubChem (CID 63016253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).