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

C13H10F4O2 — CID 107287144

IUPAC[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10F4O2/c1-7-2-5-11(19-7)12(18)8-3-4-10(14)9(6-8)13(15,16)17/h2-6,12,18H,1H3
InChIKeyGGGQIKGHTBMCNB-UHFFFAOYSA-N
MW274.21 g/mol
LogP3.83
Rot. Bonds2

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

[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol (PubChem CID 107287144) has the molecular formula C13H10F4O2 and a molecular weight of 274.21 g/mol. Its IUPAC name is [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol.

Molecular Properties

Compound Name[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
PubChem CID107287144
Molecular FormulaC13H10F4O2
Molecular Weight274.21 g/mol
Exact Mass274.06
IUPAC Name[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol
SMILESCc1ccc(C(O)c2ccc(F)c(C(F)(F)F)c2)o1
InChIInChI=1S/C13H10F4O2/c1-7-2-5-11(19-7)12(18)8-3-4-10(14)9(6-8)13(15,16)17/h2-6,12,18H,1H3
InChIKeyGGGQIKGHTBMCNB-UHFFFAOYSA-N
XLogP3.83
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4-chloro-3-fluorophenyl)-(5-methylfuran-2-yl)methanol
CID 97292995
(2-fluoro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107288706
(R)-(5-methylfuran-2-yl)-(4-methylsulfanylphenyl)methanol
CID 97292896
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
(3,5-dichlorophenyl)-(5-methylfuran-2-yl)methanol
CID 91656275
[4-fluoro-3-(trifluoromethyl)phenyl]-(1H-pyrrol-3-yl)methanol
CID 55229452
(4-fluoro-3-methylphenyl)-[2-(trifluoromethyl)phenyl]methanol
CID 62801811
(5-fluoro-3-pyridinyl)-(5-methylfuran-2-yl)methanol
CID 63894041
(4-ethylthiadiazol-5-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanol
CID 107292136
[4-fluoro-3-(trifluoromethyl)phenyl]-(3-methoxypyrazin-2-yl)methanol
CID 104514714
4-[chloro-(4-fluoro-3-methylphenyl)methyl]-1-fluoro-2-(trifluoromethyl)benzene
CID 79721901
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol?
The IUPAC name of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol (CID 107287144) is [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol.
What is the SMILES notation for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol?
The canonical SMILES for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol is Cc1ccc(C(O)c2ccc(F)c(C(F)(F)F)c2)o1.
What is the InChIKey of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol?
The InChIKey is GGGQIKGHTBMCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4O2/c1-7-2-5-11(19-7)12(18)8-3-4-10(14)9(6-8)13(15,16)17/h2-6,12,18H,1H3.
What are the key properties of [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol?
[4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol has a molecular weight of 274.21 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(trifluoromethyl)phenyl]-(5-methylfuran-2-yl)methanol is sourced from PubChem (CID 107287144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).