4-fluoro-2,3,5-tris(trifluoromethyl)phenol

C9H2F10O — CID 177310984

IUPAC4-fluoro-2,3,5-tris(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H2F10O/c10-6-2(7(11,12)13)1-3(20)4(8(14,15)16)5(6)9(17,18)19/h1,20H
InChIKeyVUAYDKUTCYJJPG-UHFFFAOYSA-N
MW316.09 g/mol
LogP4.59
Rot. Bonds

About 4-fluoro-2,3,5-tris(trifluoromethyl)phenol

4-fluoro-2,3,5-tris(trifluoromethyl)phenol (PubChem CID 177310984) has the molecular formula C9H2F10O and a molecular weight of 316.09 g/mol. Its IUPAC name is 4-fluoro-2,3,5-tris(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2,3,5-tris(trifluoromethyl)phenol
PubChem CID177310984
Molecular FormulaC9H2F10O
Molecular Weight316.09 g/mol
Exact Mass315.99
IUPAC Name4-fluoro-2,3,5-tris(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C9H2F10O/c10-6-2(7(11,12)13)1-3(20)4(8(14,15)16)5(6)9(17,18)19/h1,20H
InChIKeyVUAYDKUTCYJJPG-UHFFFAOYSA-N
XLogP4.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.09
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-methylsulfanyl-2,3-bis(trifluoromethyl)phenol
CID 134639183
5-bromo-2-fluoro-3-(trifluoromethyl)phenol
CID 125116389
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
5-(hydroxymethyl)-2,3-bis(trifluoromethyl)phenol
CID 134638839
3-hydroxy-4,5-bis(trifluoromethyl)benzoic acid
CID 134639121
2-fluoro-3-(trifluoromethyl)benzene-1,4-diol
CID 143639383
2-(bromomethyl)-4,5-bis(trifluoromethyl)phenol
CID 118851209
2-bromo-5-(trifluoromethyl)benzene-1,4-diol
CID 84708932
5-(difluoromethoxy)-2,3-bis(trifluoromethyl)phenol
CID 134639057
5-[1,1,1,3,3,3-hexafluoro-2-[5-hydroxy-4-methyl-2-(trifluoromethyl)phenyl]propan-2-yl]-2-methyl-4-(trifluoromethyl)phenol
CID 134165364
4-[4-hydroxy-2,5-bis(trifluoromethyl)phenyl]sulfanyl-2,5-bis(trifluoromethyl)phenol
CID 54220764
2,3,4-trifluoro-5-(trifluoromethyl)benzenethiol
CID 139906003

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,3,5-tris(trifluoromethyl)phenol?
The IUPAC name of 4-fluoro-2,3,5-tris(trifluoromethyl)phenol (CID 177310984) is 4-fluoro-2,3,5-tris(trifluoromethyl)phenol.
What is the SMILES notation for 4-fluoro-2,3,5-tris(trifluoromethyl)phenol?
The canonical SMILES for 4-fluoro-2,3,5-tris(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)c(F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-2,3,5-tris(trifluoromethyl)phenol?
The InChIKey is VUAYDKUTCYJJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2F10O/c10-6-2(7(11,12)13)1-3(20)4(8(14,15)16)5(6)9(17,18)19/h1,20H.
What are the key properties of 4-fluoro-2,3,5-tris(trifluoromethyl)phenol?
4-fluoro-2,3,5-tris(trifluoromethyl)phenol has a molecular weight of 316.09 g/mol, XLogP of 4.59, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,3,5-tris(trifluoromethyl)phenol is sourced from PubChem (CID 177310984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).