4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol

C10H11F3OS — CID 102489892

IUPAC4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol
SMILESOCCC(Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3OS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyONNVCWOCOZDNAJ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.09
Rot. Bonds4

About 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol

4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol (PubChem CID 102489892) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol.

Molecular Properties

Compound Name4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol
PubChem CID102489892
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol
SMILESOCCC(Sc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3OS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyONNVCWOCOZDNAJ-UHFFFAOYSA-N
XLogP3.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1,3,3,3-hexafluoropropan-2-ylsulfanylbenzene
CID 12567444
(1,2,2-trifluoro-3-iodopropyl)sulfanylbenzene
CID 101153777
benzoic acid;4,4,4-trifluoro-3-(phenylsulfanylmethyl)butan-1-ol
CID 71334944
4,4,4-trifluoro-3-(4-methylphenyl)sulfanylbutan-1-amine
CID 43753407
(3S)-5-phenyl-3-(trifluoromethyl)pentan-1-ol
CID 129452595
4,4,4-trifluoro-3-[[1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl]butan-1-ol
CID 23380740
(2,2,2-trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
bis(trifluoromethylsulfonyl)methylsulfanylbenzene
CID 162538123
[(2R)-2-bromo-3,3,3-trifluoro-1-phenylsulfanylpropyl] acetate
CID 138970977
(2-chloro-1,2,2-trifluoroethyl)sulfanylbenzene
CID 15639803
2-phenyl-2-phenylsulfanylethanol
CID 11264720
4,4,4-tris(phenylsulfanyl)-3-(trifluoromethyl)butanoic acid
CID 88768344

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol?
The IUPAC name of 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol (CID 102489892) is 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol.
What is the SMILES notation for 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol?
The canonical SMILES for 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol is OCCC(Sc1ccccc1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol?
The InChIKey is ONNVCWOCOZDNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c11-10(12,13)9(6-7-14)15-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2.
What are the key properties of 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol?
4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol has a molecular weight of 236.26 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-phenylsulfanylbutan-1-ol is sourced from PubChem (CID 102489892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).