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

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Related Compounds

4,4'-Thiodiphenol
CID 17570
o-(Methylthio)phenol
CID 61261
4-(Methylthio)phenol
CID 14086
4-(Methylsulfonyl)phenol
CID 123350
4-Hydroxyphenyl thiocyanate
CID 220327
4-Trifluoromethanesulfonylphenol
CID 14857426
4-(Methylsulfinyl)phenol
CID 151936
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecylthio)phenol
CID 11398975
4-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctylthio)phenol
CID 16212868
2-(Ethylthio)phenol
CID 122407
4-S-Cysteaminylphenol
CID 115347
2-((4-Hydroxyphenyl)sulfanyl)acetic acid
CID 277285

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).