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

C10H11F3OS — CID 43417004

IUPAC2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol
SMILESOCCSCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3OS/c11-10(12,13)9-4-2-1-3-8(9)7-15-6-5-14/h1-4,14H,5-7H2
InChIKeyKPNKMKAMJXQUGP-UHFFFAOYSA-N
MW236.26 g/mol
LogP2.93
Rot. Bonds4

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

2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol (PubChem CID 43417004) has the molecular formula C10H11F3OS and a molecular weight of 236.26 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol
PubChem CID43417004
Molecular FormulaC10H11F3OS
Molecular Weight236.26 g/mol
Exact Mass236.05
IUPAC Name2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol
SMILESOCCSCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H11F3OS/c11-10(12,13)9-4-2-1-3-8(9)7-15-6-5-14/h1-4,14H,5-7H2
InChIKeyKPNKMKAMJXQUGP-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethyl]isoindole-1,3-dione
CID 55352381
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]azetidine
CID 115070968
3-[[4-amino-2-(trifluoromethyl)phenyl]methylsulfanyl]propan-1-ol
CID 81117978
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]benzoic acid
CID 43093007
[2-(trifluoromethyl)phenyl]methyl carbamimidothioate;hydrobromide
CID 75360630
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
4-[2-(trifluoromethyl)phenyl]but-2-yn-1-ol
CID 117265427
3-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]pyrrolidine
CID 115070736
2-amino-3-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 155890357

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol?
The IUPAC name of 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol (CID 43417004) is 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol.
What is the SMILES notation for 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol?
The canonical SMILES for 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol is OCCSCc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol?
The InChIKey is KPNKMKAMJXQUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OS/c11-10(12,13)9-4-2-1-3-8(9)7-15-6-5-14/h1-4,14H,5-7H2.
What are the key properties of 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol?
2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol has a molecular weight of 236.26 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)phenyl]methylsulfanyl]ethanol is sourced from PubChem (CID 43417004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).