4-(3,3-difluorobutylsulfanyl)phenol

C10H12F2OS — CID 84683808

IUPAC4-(3,3-difluorobutylsulfanyl)phenol
SMILESCC(F)(F)CCSc1ccc(O)cc1
InChIInChI=1S/C10H12F2OS/c1-10(11,12)6-7-14-9-4-2-8(13)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyUFSYFBOAWHUPEU-UHFFFAOYSA-N
MW218.27 g/mol
LogP3.53
Rot. Bonds4

About 4-(3,3-difluorobutylsulfanyl)phenol

4-(3,3-difluorobutylsulfanyl)phenol (PubChem CID 84683808) has the molecular formula C10H12F2OS and a molecular weight of 218.27 g/mol. Its IUPAC name is 4-(3,3-difluorobutylsulfanyl)phenol.

Molecular Properties

Compound Name4-(3,3-difluorobutylsulfanyl)phenol
PubChem CID84683808
Molecular FormulaC10H12F2OS
Molecular Weight218.27 g/mol
Exact Mass218.06
IUPAC Name4-(3,3-difluorobutylsulfanyl)phenol
SMILESCC(F)(F)CCSc1ccc(O)cc1
InChIInChI=1S/C10H12F2OS/c1-10(11,12)6-7-14-9-4-2-8(13)3-5-9/h2-5,13H,6-7H2,1H3
InChIKeyUFSYFBOAWHUPEU-UHFFFAOYSA-N
XLogP3.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(3,3-difluorobutylsulfanyl)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluorobutylsulfanyl)phenol?
The IUPAC name of 4-(3,3-difluorobutylsulfanyl)phenol (CID 84683808) is 4-(3,3-difluorobutylsulfanyl)phenol.
What is the SMILES notation for 4-(3,3-difluorobutylsulfanyl)phenol?
The canonical SMILES for 4-(3,3-difluorobutylsulfanyl)phenol is CC(F)(F)CCSc1ccc(O)cc1.
What is the InChIKey of 4-(3,3-difluorobutylsulfanyl)phenol?
The InChIKey is UFSYFBOAWHUPEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2OS/c1-10(11,12)6-7-14-9-4-2-8(13)3-5-9/h2-5,13H,6-7H2,1H3.
What are the key properties of 4-(3,3-difluorobutylsulfanyl)phenol?
4-(3,3-difluorobutylsulfanyl)phenol has a molecular weight of 218.27 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluorobutylsulfanyl)phenol is sourced from PubChem (CID 84683808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).