3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol

C9H11F5OS — CID 70677073

IUPAC3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol
SMILESOCCCc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H11F5OS/c10-16(11,12,13,14)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,15H,2,4,6H2
InChIKeyTVESUFYCLBXDNK-UHFFFAOYSA-N
MW262.24 g/mol
LogP4.27
Rot. Bonds4

About 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol

3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol (PubChem CID 70677073) has the molecular formula C9H11F5OS and a molecular weight of 262.24 g/mol. Its IUPAC name is 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol
PubChem CID70677073
Molecular FormulaC9H11F5OS
Molecular Weight262.24 g/mol
Exact Mass262.05
IUPAC Name3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol
SMILESOCCCc1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C9H11F5OS/c10-16(11,12,13,14)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,15H,2,4,6H2
InChIKeyTVESUFYCLBXDNK-UHFFFAOYSA-N
XLogP4.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.24
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluoro-3-phenylpropan-1-ol
CID 57577071
3,3-Difluoro-3-phenylpropan-1-ol
CID 57577082
3-(2,3,4-Trifluorophenyl)propan-1-ol
CID 53403866
(1S)-2-[3-(pentafluoro-lambda6-sulfanyl)phenyl]-1-phenylethanol
CID 135031374
(2R)-2-fluoro-3-[4-(trifluoromethylsulfanyl)phenyl]propan-1-ol
CID 155930875
(2R)-3-(3,4-difluorophenyl)-2-fluoropropan-1-ol
CID 168306787
4-(2-Sulfanylphenyl)-1-butanol
CID 11126913
Hydroxyethyl benzene thiol
CID 11240608
3-Phenyl-3,3-bis(sulfanyl)propan-1-ol
CID 87643219
2',4'-Difluoro-2-(2-hydroxyethyl)thioacetophenone
CID 18786637
3-(3,4-Difluorophenyl)propan-1-ol
CID 21180699
3-(2,4-Difluorophenyl)propan-1-OL
CID 23036794

Frequently Asked Questions

What is the IUPAC name of 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol?
The IUPAC name of 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol (CID 70677073) is 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol?
The canonical SMILES for 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol is OCCCc1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol?
The InChIKey is TVESUFYCLBXDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F5OS/c10-16(11,12,13,14)9-5-1-3-8(7-9)4-2-6-15/h1,3,5,7,15H,2,4,6H2.
What are the key properties of 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol?
3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol has a molecular weight of 262.24 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(pentafluoro-λ6-sulfanyl)phenyl]propan-1-ol is sourced from PubChem (CID 70677073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).