1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol

C8H11F3OS — CID 130565162

IUPAC1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CCCS1)C(F)(F)F
InChIInChI=1S/C8H11F3OS/c1-5(8(9,10)11)7(12)6-3-2-4-13-6/h6-7,12H,1-4H2
InChIKeyAMIFKFDWXDVSAB-UHFFFAOYSA-N
MW212.24 g/mol
LogP2.36
Rot. Bonds2

About 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol

1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol (PubChem CID 130565162) has the molecular formula C8H11F3OS and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
PubChem CID130565162
Molecular FormulaC8H11F3OS
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol
SMILESC=C(C(O)C1CCCS1)C(F)(F)F
InChIInChI=1S/C8H11F3OS/c1-5(8(9,10)11)7(12)6-3-2-4-13-6/h6-7,12H,1-4H2
InChIKeyAMIFKFDWXDVSAB-UHFFFAOYSA-N
XLogP2.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-4-(difluoromethylidene)-2-(hydroxymethyl)thiolan-3-ol
CID 101189562
3-[2-(Trifluoromethylsulfanyl)ethyl]cyclopent-2-en-1-ol
CID 116627293
1-(Thian-3-yl)-2-(trifluoromethyl)prop-2-en-1-ol
CID 130564679
2-Methyl-1-(thiolan-2-yl)prop-2-en-1-ol
CID 105110408

Frequently Asked Questions

What is the IUPAC name of 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The IUPAC name of 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol (CID 130565162) is 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol.
What is the SMILES notation for 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The canonical SMILES for 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol is C=C(C(O)C1CCCS1)C(F)(F)F.
What is the InChIKey of 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
The InChIKey is AMIFKFDWXDVSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3OS/c1-5(8(9,10)11)7(12)6-3-2-4-13-6/h6-7,12H,1-4H2.
What are the key properties of 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol?
1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol has a molecular weight of 212.24 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiolan-2-yl)-2-(trifluoromethyl)prop-2-en-1-ol is sourced from PubChem (CID 130565162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).