2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol

C10H11F3OS — CID 62791843

IUPAC2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCSCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3OS/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9,14H,6H2,1H3
InChIKeyPEFBUSMFQJOBMQ-UHFFFAOYSA-N
MW236.26 g/mol
LogP3.10
Rot. Bonds3

About 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol

2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol (PubChem CID 62791843) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
PubChem CID62791843
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
SMILESCSCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3OS/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9,14H,6H2,1H3
InChIKeyPEFBUSMFQJOBMQ-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
2-amino-1-[3-(trifluoromethyl)phenyl]ethanol
CID 30514
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
3-amino-1-[3-(trifluoromethyl)phenyl]pentan-1-ol
CID 81463154
3-(3-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 105092775
4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 64718997
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
[3-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]propyl]hydrazine
CID 105301345
2-azido-1-[3-(trifluoromethyl)phenyl]ethanol
CID 83092965
(1S,2S)-1-amino-1-[3-(trifluoromethyl)phenyl]propan-2-ol
CID 129052960
1-[3-(trifluoromethyl)phenyl]-2-[2-(trifluoromethylsulfanyl)ethylamino]ethanol
CID 106429233

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol (CID 62791843) is 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol is CSCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol?
The InChIKey is PEFBUSMFQJOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c1-15-6-9(14)7-3-2-4-8(5-7)10(11,12)13/h2-5,9,14H,6H2,1H3.
What are the key properties of 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol?
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol has a molecular weight of 236.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 62791843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).