(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol

C9H9F3OS — CID 118988105

IUPAC(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol
SMILESC=CC[C@@](O)(c1ccsc1)C(F)(F)F
InChIInChI=1S/C9H9F3OS/c1-2-4-8(13,9(10,11)12)7-3-5-14-6-7/h2-3,5-6,13H,1,4H2/t8-/m1/s1
InChIKeyWQQGOPIFUHCCJF-MRVPVSSYSA-N
MW222.23 g/mol
LogP3.07
Rot. Bonds3

About (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol

(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol (PubChem CID 118988105) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol
PubChem CID118988105
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol
SMILESC=CC[C@@](O)(c1ccsc1)C(F)(F)F
InChIInChI=1S/C9H9F3OS/c1-2-4-8(13,9(10,11)12)7-3-5-14-6-7/h2-3,5-6,13H,1,4H2/t8-/m1/s1
InChIKeyWQQGOPIFUHCCJF-MRVPVSSYSA-N
XLogP3.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 53.07
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

(E)-2-thiophen-3-yl-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-ol
CID 46889227
2-Thiophen-3-ylpent-4-en-2-ol
CID 17755348
1,1,1,3,3,3-Hexafluoro-2-(2-thienyl)-2-propanol
CID 19022266
(R)-1,1,1-trifluoro-2-(thiophen-3-yl)penta-3,4-dien-2-ol
CID 118988106
(S)-1,1,1-trifluoro-2-(thiophen-2-yl)pent-4-en-2-ol
CID 118988132
(S)-1,1,1-trifluoro-2-(thiophen-2-yl)penta-3,4-dien-2-ol
CID 118988138
(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol
CID 134966647
4,4,4-Trifluoro-2-thiophen-2-ylbutan-2-ol
CID 135044246
(2S)-4,4,4-trifluoro-2-thiophen-2-ylbutan-2-ol
CID 164670396
(1S,2R)-2-fluoro-1-(thiophen-3-yl)-2-(trifluoromethyl)but-3-en-1-ol
CID 165415754
1-(Thiophen-3-yl)prop-2-en-1-ol
CID 19780492
(1R)-1-thiophen-3-ylprop-2-en-1-ol
CID 124509514

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol (CID 118988105) is (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol is C=CC[C@@](O)(c1ccsc1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol?
The InChIKey is WQQGOPIFUHCCJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F3OS/c1-2-4-8(13,9(10,11)12)7-3-5-14-6-7/h2-3,5-6,13H,1,4H2/t8-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol?
(2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol has a molecular weight of 222.23 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-2-thiophen-3-ylpent-4-en-2-ol is sourced from PubChem (CID 118988105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).