(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

C14H12F4OS — CID 107287311

IUPAC(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)s1
InChIInChI=1S/C14H12F4OS/c1-2-9-4-6-12(20-9)13(19)8-3-5-10(11(15)7-8)14(16,17)18/h3-7,13,19H,2H2,1H3
InChIKeyCYYIPCVVPVELAL-UHFFFAOYSA-N
MW304.31 g/mol
LogP4.55
Rot. Bonds3

About (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol

(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (PubChem CID 107287311) has the molecular formula C14H12F4OS and a molecular weight of 304.31 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
PubChem CID107287311
Molecular FormulaC14H12F4OS
Molecular Weight304.31 g/mol
Exact Mass304.05
IUPAC Name(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
SMILESCCc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)s1
InChIInChI=1S/C14H12F4OS/c1-2-9-4-6-12(20-9)13(19)8-3-5-10(11(15)7-8)14(16,17)18/h3-7,13,19H,2H2,1H3
InChIKeyCYYIPCVVPVELAL-UHFFFAOYSA-N
XLogP4.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100003
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(5-chloro-2-fluorophenyl)-(5-ethylthiophen-2-yl)methanol
CID 61101728
(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288463
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
1,3-dihydro-2-benzofuran-5-yl-(5-ethylthiophen-2-yl)methanol
CID 63019737
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
CID 107292011
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
1-(5-ethylthiophen-2-yl)-2,2,2-trifluoroethanol
CID 61101723
(2,4-difluoro-5-methylphenyl)-(5-ethylthiophen-2-yl)methanol
CID 79731435
(3-bromo-4-methoxyphenyl)-(5-ethylthiophen-2-yl)methanol
CID 61100007
1-(5-ethylthiophen-2-yl)-3,3,3-trifluoropropan-1-ol
CID 61100350

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol (CID 107287311) is (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is CCc1ccc(C(O)c2ccc(C(F)(F)F)c(F)c2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
The InChIKey is CYYIPCVVPVELAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4OS/c1-2-9-4-6-12(20-9)13(19)8-3-5-10(11(15)7-8)14(16,17)18/h3-7,13,19H,2H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol?
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol has a molecular weight of 304.31 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 107287311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).