3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol

C14H10F4O — CID 53221964

IUPAC3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol
SMILESCc1c(F)cccc1-c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F4O/c1-8-12(3-2-4-13(8)15)9-5-10(14(16,17)18)7-11(19)6-9/h2-7,19H,1H3
InChIKeyCLUUDUGVMOMZGB-UHFFFAOYSA-N
MW270.23 g/mol
LogP4.53
Rot. Bonds1

About 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol

3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol (PubChem CID 53221964) has the molecular formula C14H10F4O and a molecular weight of 270.23 g/mol. Its IUPAC name is 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol
PubChem CID53221964
Molecular FormulaC14H10F4O
Molecular Weight270.23 g/mol
Exact Mass270.07
IUPAC Name3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol
SMILESCc1c(F)cccc1-c1cc(O)cc(C(F)(F)F)c1
InChIInChI=1S/C14H10F4O/c1-8-12(3-2-4-13(8)15)9-5-10(14(16,17)18)7-11(19)6-9/h2-7,19H,1H3
InChIKeyCLUUDUGVMOMZGB-UHFFFAOYSA-N
XLogP4.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol?
The IUPAC name of 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol (CID 53221964) is 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol.
What is the SMILES notation for 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol?
The canonical SMILES for 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol is Cc1c(F)cccc1-c1cc(O)cc(C(F)(F)F)c1.
What is the InChIKey of 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol?
The InChIKey is CLUUDUGVMOMZGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O/c1-8-12(3-2-4-13(8)15)9-5-10(14(16,17)18)7-11(19)6-9/h2-7,19H,1H3.
What are the key properties of 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol?
3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol has a molecular weight of 270.23 g/mol, XLogP of 4.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methylphenyl)-5-(trifluoromethyl)phenol is sourced from PubChem (CID 53221964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).