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

C13H10F4O2S — CID 107292011

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C13H10F4O2S/c1-19-8-5-11(20-6-8)12(18)7-2-3-9(10(14)4-7)13(15,16)17/h2-6,12,18H,1H3
InChIKeyXITWFRVVXROUFT-UHFFFAOYSA-N
MW306.28 g/mol
LogP4.00
Rot. Bonds3

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

[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol (PubChem CID 107292011) has the molecular formula C13H10F4O2S and a molecular weight of 306.28 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
PubChem CID107292011
Molecular FormulaC13H10F4O2S
Molecular Weight306.28 g/mol
Exact Mass306.03
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol
SMILESCOc1csc(C(O)c2ccc(C(F)(F)F)c(F)c2)c1
InChIInChI=1S/C13H10F4O2S/c1-19-8-5-11(20-6-8)12(18)7-2-3-9(10(14)4-7)13(15,16)17/h2-6,12,18H,1H3
InChIKeyXITWFRVVXROUFT-UHFFFAOYSA-N
XLogP4.00
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromothiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107288463
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(6-methoxynaphthalen-2-yl)-(4-methoxythiophen-2-yl)methanol
CID 81119910
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
(3,5-dimethoxyphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115821638
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
(5-ethylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287311
(4-bromo-5-methylthiophen-2-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287912
(2-fluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 115794422
(4-fluoronaphthalen-1-yl)-(4-methoxythiophen-2-yl)methanol
CID 81123747
(4-methoxy-3,5-dimethylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 83068716
(2,4-difluoro-5-methylphenyl)-(4-methoxythiophen-2-yl)methanol
CID 81123580

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol (CID 107292011) is [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol is COc1csc(C(O)c2ccc(C(F)(F)F)c(F)c2)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol?
The InChIKey is XITWFRVVXROUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4O2S/c1-19-8-5-11(20-6-8)12(18)7-2-3-9(10(14)4-7)13(15,16)17/h2-6,12,18H,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol?
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol has a molecular weight of 306.28 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxythiophen-2-yl)methanol is sourced from PubChem (CID 107292011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).