2-propyl-5-(trifluoromethylsulfanyl)phenol

C10H11F3OS — CID 11322305

IUPAC2-propyl-5-(trifluoromethylsulfanyl)phenol
SMILESCCCc1ccc(SC(F)(F)F)cc1O
InChIInChI=1S/C10H11F3OS/c1-2-3-7-4-5-8(6-9(7)14)15-10(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyCCTIFKRTHQWSSR-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.96
Rot. Bonds3

About 2-propyl-5-(trifluoromethylsulfanyl)phenol

2-propyl-5-(trifluoromethylsulfanyl)phenol (PubChem CID 11322305) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-propyl-5-(trifluoromethylsulfanyl)phenol.

Molecular Properties

Compound Name2-propyl-5-(trifluoromethylsulfanyl)phenol
PubChem CID11322305
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-propyl-5-(trifluoromethylsulfanyl)phenol
SMILESCCCc1ccc(SC(F)(F)F)cc1O
InChIInChI=1S/C10H11F3OS/c1-2-3-7-4-5-8(6-9(7)14)15-10(11,12)13/h4-6,14H,2-3H2,1H3
InChIKeyCCTIFKRTHQWSSR-UHFFFAOYSA-N
XLogP3.96
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-fluoro-2-propylphenol
CID 143012210
1-propyl-4-(trifluoromethylsulfanyl)benzene
CID 70828854
2-[(1S)-1-aminopropyl]-4-(trifluoromethylsulfanyl)phenol
CID 171255563
1-bromo-3-[2-ethyl-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 134616318
1-(3-bromopropyl)-2-fluoro-4-(trifluoromethylsulfanyl)benzene
CID 118854823
1-(3-chloropropyl)-2-fluoro-4-(trifluoromethylsulfanyl)benzene
CID 166641360
4-(2-methylheptan-2-ylsulfanyl)-2-propylphenol
CID 173100970
2,3-difluoro-4-propylphenol
CID 14495704
4,6-dipropylbenzene-1,3-diol
CID 70496109
1-(3-bromopropyl)-2-methyl-4-(trifluoromethylsulfanyl)benzene
CID 118802646
5-methoxy-2-propylphenol
CID 12836519
1-[2-(bromomethyl)-5-(trifluoromethylsulfanyl)phenyl]propan-2-one
CID 166640652

Frequently Asked Questions

What is the IUPAC name of 2-propyl-5-(trifluoromethylsulfanyl)phenol?
The IUPAC name of 2-propyl-5-(trifluoromethylsulfanyl)phenol (CID 11322305) is 2-propyl-5-(trifluoromethylsulfanyl)phenol.
What is the SMILES notation for 2-propyl-5-(trifluoromethylsulfanyl)phenol?
The canonical SMILES for 2-propyl-5-(trifluoromethylsulfanyl)phenol is CCCc1ccc(SC(F)(F)F)cc1O.
What is the InChIKey of 2-propyl-5-(trifluoromethylsulfanyl)phenol?
The InChIKey is CCTIFKRTHQWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-2-3-7-4-5-8(6-9(7)14)15-10(11,12)13/h4-6,14H,2-3H2,1H3.
What are the key properties of 2-propyl-5-(trifluoromethylsulfanyl)phenol?
2-propyl-5-(trifluoromethylsulfanyl)phenol has a molecular weight of 236.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-5-(trifluoromethylsulfanyl)phenol is sourced from PubChem (CID 11322305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).