2-[2-(difluoromethylsulfanyl)phenyl]furan

C11H8F2OS — CID 168527724

IUPAC2-[2-(difluoromethylsulfanyl)phenyl]furan
SMILESFC(F)Sc1ccccc1-c1ccco1
InChIInChI=1S/C11H8F2OS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-7,11H
InChIKeyCQXRDYGVBITCED-UHFFFAOYSA-N
MW226.25 g/mol
LogP4.26
Rot. Bonds3

About 2-[2-(difluoromethylsulfanyl)phenyl]furan

2-[2-(difluoromethylsulfanyl)phenyl]furan (PubChem CID 168527724) has the molecular formula C11H8F2OS and a molecular weight of 226.25 g/mol. Its IUPAC name is 2-[2-(difluoromethylsulfanyl)phenyl]furan.

Molecular Properties

Compound Name2-[2-(difluoromethylsulfanyl)phenyl]furan
PubChem CID168527724
Molecular FormulaC11H8F2OS
Molecular Weight226.25 g/mol
Exact Mass226.03
IUPAC Name2-[2-(difluoromethylsulfanyl)phenyl]furan
SMILESFC(F)Sc1ccccc1-c1ccco1
InChIInChI=1S/C11H8F2OS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-7,11H
InChIKeyCQXRDYGVBITCED-UHFFFAOYSA-N
XLogP4.26
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)furan
CID 10511186
2-(2-propan-2-ylphenyl)furan
CID 23404422
ethane;2-(2-methylphenyl)furan
CID 142082580
2-[3-(difluoromethoxy)-2-fluorophenyl]furan
CID 168528201
2,2,2-trifluoro-1-[2-(furan-2-yl)phenyl]ethanol
CID 66743675
2-(difluoromethylsulfanyl)-N-[1-(furan-2-yl)propyl]aniline
CID 62631784
5-[2-(furan-2-yl)phenyl]-1,3-oxazole
CID 168525054
2-(2-cyclopropylphenyl)furan
CID 168526916
2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
ethane;2-(furan-2-yl)furan
CID 161366084
2-(2-phenoxyphenyl)furan
CID 173223033
2-phenanthren-1-ylfuran
CID 142748745

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]furan?
The IUPAC name of 2-[2-(difluoromethylsulfanyl)phenyl]furan (CID 168527724) is 2-[2-(difluoromethylsulfanyl)phenyl]furan.
What is the SMILES notation for 2-[2-(difluoromethylsulfanyl)phenyl]furan?
The canonical SMILES for 2-[2-(difluoromethylsulfanyl)phenyl]furan is FC(F)Sc1ccccc1-c1ccco1.
What is the InChIKey of 2-[2-(difluoromethylsulfanyl)phenyl]furan?
The InChIKey is CQXRDYGVBITCED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F2OS/c12-11(13)15-10-6-2-1-4-8(10)9-5-3-7-14-9/h1-7,11H.
What are the key properties of 2-[2-(difluoromethylsulfanyl)phenyl]furan?
2-[2-(difluoromethylsulfanyl)phenyl]furan has a molecular weight of 226.25 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethylsulfanyl)phenyl]furan is sourced from PubChem (CID 168527724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).