(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

C16H9F5N2O2 — CID 139328727

IUPAC(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H9F5N2O2/c17-10-5-6-11(12(18)7-10)13(24)8-1-3-9(4-2-8)14-22-15(25-23-14)16(19,20)21/h1-7,13,24H
InChIKeyCPJMJZKYVCXNEK-UHFFFAOYSA-N
MW356.25 g/mol
LogP4.12
Rot. Bonds3

About (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol

(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (PubChem CID 139328727) has the molecular formula C16H9F5N2O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
PubChem CID139328727
Molecular FormulaC16H9F5N2O2
Molecular Weight356.25 g/mol
Exact Mass356.06
IUPAC Name(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol
SMILESOC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F
InChIInChI=1S/C16H9F5N2O2/c17-10-5-6-11(12(18)7-10)13(24)8-1-3-9(4-2-8)14-22-15(25-23-14)16(19,20)21/h1-7,13,24H
InChIKeyCPJMJZKYVCXNEK-UHFFFAOYSA-N
XLogP4.12
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The IUPAC name of (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol (CID 139328727) is (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol.
What is the SMILES notation for (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The canonical SMILES for (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is OC(c1ccc(-c2noc(C(F)(F)F)n2)cc1)c1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
The InChIKey is CPJMJZKYVCXNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N2O2/c17-10-5-6-11(12(18)7-10)13(24)8-1-3-9(4-2-8)14-22-15(25-23-14)16(19,20)21/h1-7,13,24H.
What are the key properties of (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol?
(2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol has a molecular weight of 356.25 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]methanol is sourced from PubChem (CID 139328727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).