4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol

C9H6F6O2 — CID 166611037

IUPAC4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
SMILESOc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H6F6O2/c10-8(11,12)4-17-7-2-1-5(16)3-6(7)9(13,14)15/h1-3,16H,4H2
InChIKeyXQAKNMNQKSYYFO-UHFFFAOYSA-N
MW260.13 g/mol
LogP3.35
Rot. Bonds2

About 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol

4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol (PubChem CID 166611037) has the molecular formula C9H6F6O2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
PubChem CID166611037
Molecular FormulaC9H6F6O2
Molecular Weight260.13 g/mol
Exact Mass260.03
IUPAC Name4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol
SMILESOc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1
InChIInChI=1S/C9H6F6O2/c10-8(11,12)4-17-7-2-1-5(16)3-6(7)9(13,14)15/h1-3,16H,4H2
InChIKeyXQAKNMNQKSYYFO-UHFFFAOYSA-N
XLogP3.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142
4-(2-methoxyethoxy)-3-(trifluoromethyl)phenol
CID 166611038
[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]boronic acid
CID 88588290
4-(cyclobutylmethoxy)-3-(trifluoromethyl)phenol
CID 166611039
4-(bromomethyl)-1-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)benzene
CID 55204720
3-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]propanoic acid
CID 175665772
3-[2,4-bis(trifluoromethyl)phenoxy]-1,1,1-trifluoropropane-2,2-diol
CID 166738236
N-[4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 133316461
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467793
4-[4-(difluoromethyl)-2-(trifluoromethyl)phenoxy]phenol
CID 175703353
[4-(2,2,2-trifluoroethoxymethoxy)-3-(trifluoromethyl)phenyl]methanol
CID 106705149
[4-[2-(2,2,2-trifluoroethoxy)ethoxy]-3-(trifluoromethyl)phenyl]methanol
CID 63320753

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol (CID 166611037) is 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol is Oc1ccc(OCC(F)(F)F)c(C(F)(F)F)c1.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol?
The InChIKey is XQAKNMNQKSYYFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6O2/c10-8(11,12)4-17-7-2-1-5(16)3-6(7)9(13,14)15/h1-3,16H,4H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol?
4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol has a molecular weight of 260.13 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)-3-(trifluoromethyl)phenol is sourced from PubChem (CID 166611037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).