3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene

C13H11ClF2OS — CID 63017182

IUPAC3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
SMILESFC(F)Oc1ccc(C(Cl)Cc2ccsc2)cc1
InChIInChI=1S/C13H11ClF2OS/c14-12(7-9-5-6-18-8-9)10-1-3-11(4-2-10)17-13(15)16/h1-6,8,12-13H,7H2
InChIKeyVEHQXPRSFUGLKE-UHFFFAOYSA-N
MW288.75 g/mol
LogP4.87
Rot. Bonds5

About 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene

3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene (PubChem CID 63017182) has the molecular formula C13H11ClF2OS and a molecular weight of 288.75 g/mol. Its IUPAC name is 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene.

Molecular Properties

Compound Name3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
PubChem CID63017182
Molecular FormulaC13H11ClF2OS
Molecular Weight288.75 g/mol
Exact Mass288.02
IUPAC Name3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene
SMILESFC(F)Oc1ccc(C(Cl)Cc2ccsc2)cc1
InChIInChI=1S/C13H11ClF2OS/c14-12(7-9-5-6-18-8-9)10-1-3-11(4-2-10)17-13(15)16/h1-6,8,12-13H,7H2
InChIKeyVEHQXPRSFUGLKE-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.75
LogP ≤ 54.87
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

3-[2-chloro-2-(4-iodophenyl)ethyl]thiophene
CID 63518110
3-[2-chloro-2-(3,5-difluorophenyl)ethyl]thiophene
CID 63016253
1-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxybenzene
CID 63017955
3-[2-bromo-2-[3-(difluoromethoxy)phenyl]ethyl]thiophene
CID 63016507
(R)-[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanamine
CID 171225773
3-[2-(3-bromo-5-chlorophenyl)-2-chloroethyl]thiophene
CID 107957931
1-chloro-2-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]-3-fluorobenzene
CID 63518309
N-[1-[3-(difluoromethoxy)phenyl]ethyl]-1-thiophen-3-ylpropan-2-amine
CID 61473448
[4-(difluoromethoxy)phenyl]-thiophen-3-ylmethanone
CID 114975163
3-(2-fluoropropyl)thiophene
CID 74766003
3-(1-chloro-2-thiophen-3-ylethyl)-2,4,5-trimethylfuran
CID 65152447
3-[2-(4-propan-2-ylphenoxy)ethyl]thiophene
CID 64763301

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene?
The IUPAC name of 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene (CID 63017182) is 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene.
What is the SMILES notation for 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene?
The canonical SMILES for 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene is FC(F)Oc1ccc(C(Cl)Cc2ccsc2)cc1.
What is the InChIKey of 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene?
The InChIKey is VEHQXPRSFUGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF2OS/c14-12(7-9-5-6-18-8-9)10-1-3-11(4-2-10)17-13(15)16/h1-6,8,12-13H,7H2.
What are the key properties of 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene?
3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene has a molecular weight of 288.75 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-2-[4-(difluoromethoxy)phenyl]ethyl]thiophene is sourced from PubChem (CID 63017182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).