(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol

C13H11F3OS — CID 115797090

IUPAC(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCc1ccsc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3OS/c1-2-7-5-6-18-13(7)12(17)8-3-4-9(14)11(16)10(8)15/h3-6,12,17H,2H2,1H3
InChIKeyICNOTGHUHKKPJK-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.81
Rot. Bonds3

About (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol

(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol (PubChem CID 115797090) has the molecular formula C13H11F3OS and a molecular weight of 272.29 g/mol. Its IUPAC name is (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol.

Molecular Properties

Compound Name(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
PubChem CID115797090
Molecular FormulaC13H11F3OS
Molecular Weight272.29 g/mol
Exact Mass272.05
IUPAC Name(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol
SMILESCCc1ccsc1C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C13H11F3OS/c1-2-7-5-6-18-13(7)12(17)8-3-4-9(14)11(16)10(8)15/h3-6,12,17H,2H2,1H3
InChIKeyICNOTGHUHKKPJK-UHFFFAOYSA-N
XLogP3.81
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(2-chloro-4,5-dimethylphenyl)-(3-ethylthiophen-2-yl)methanol
CID 115484530
1-(3-ethylthiophen-2-yl)-1-(4-fluoronaphthalen-1-yl)-N-methylmethanamine
CID 79973815
2-(3-bromo-2,6-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 106274378
(4-propylthiadiazol-5-yl)-(2,3,4-trifluorophenyl)methanol
CID 105097071
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148
(1S)-3-amino-1-(3-ethylthiophen-2-yl)propan-1-ol
CID 96854417
(3-ethylthiophen-2-yl)-quinolin-8-ylmethanol
CID 115826964
(3-ethylthiophen-2-yl)-pyrimidin-5-ylmethanol
CID 115781662
(4-bromo-2,5-dimethoxyphenyl)-(3-ethylthiophen-2-yl)methanol
CID 105057093
(3-ethylthiophen-2-yl)-(2-fluorophenyl)methanamine
CID 115827861
(3-ethylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanamine
CID 103301726
1-(2,6-difluoro-3-methylphenyl)-1-(3-ethylthiophen-2-yl)-N-methylmethanamine
CID 105027085

Frequently Asked Questions

What is the IUPAC name of (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol?
The IUPAC name of (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol (CID 115797090) is (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol.
What is the SMILES notation for (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol?
The canonical SMILES for (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol is CCc1ccsc1C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol?
The InChIKey is ICNOTGHUHKKPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3OS/c1-2-7-5-6-18-13(7)12(17)8-3-4-9(14)11(16)10(8)15/h3-6,12,17H,2H2,1H3.
What are the key properties of (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol?
(3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol has a molecular weight of 272.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylthiophen-2-yl)-(2,3,4-trifluorophenyl)methanol is sourced from PubChem (CID 115797090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).