ethane;3-(trifluoromethoxy)phenol

C9H11F3O2 — CID 143201974

IUPACethane;3-(trifluoromethoxy)phenol
SMILESCC.Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H5F3O2.C2H6/c8-7(9,10)12-6-3-1-2-5(11)4-6;1-2/h1-4,11H;1-2H3
InChIKeyZBJCOVFZFZWFAG-UHFFFAOYSA-N
MW208.18 g/mol
LogP3.32
Rot. Bonds1

About ethane;3-(trifluoromethoxy)phenol

ethane;3-(trifluoromethoxy)phenol (PubChem CID 143201974) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is ethane;3-(trifluoromethoxy)phenol.

Molecular Properties

Compound Nameethane;3-(trifluoromethoxy)phenol
PubChem CID143201974
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Nameethane;3-(trifluoromethoxy)phenol
SMILESCC.Oc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C7H5F3O2.C2H6/c8-7(9,10)12-6-3-1-2-5(11)4-6;1-2/h1-4,11H;1-2H3
InChIKeyZBJCOVFZFZWFAG-UHFFFAOYSA-N
XLogP3.32
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;3-(trifluoromethoxy)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[4-(trifluoromethoxy)phenoxy]phenoxy]phenol
CID 54570273
3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3,3-dimethyl-2-[3-(trifluoromethoxy)phenyl]butan-2-ol
CID 113302780
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
1-(2-bromopropan-2-yloxy)-3-(trifluoromethoxy)benzene
CID 69380346
3-(2,2-dichloro-1,1-difluoroethoxy)phenol
CID 154087912
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
ethane;3-methoxyphenol
CID 142018283
3-(2-phenylpropan-2-yloxy)phenol
CID 54130894
3-(2,4,4-trimethylpentan-2-yloxy)phenol
CID 70403468
ethane;(NE)-N-[[3-(trifluoromethoxy)phenyl]methylidene]hydroxylamine
CID 171091545
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235

Frequently Asked Questions

What is the IUPAC name of ethane;3-(trifluoromethoxy)phenol?
The IUPAC name of ethane;3-(trifluoromethoxy)phenol (CID 143201974) is ethane;3-(trifluoromethoxy)phenol.
What is the SMILES notation for ethane;3-(trifluoromethoxy)phenol?
The canonical SMILES for ethane;3-(trifluoromethoxy)phenol is CC.Oc1cccc(OC(F)(F)F)c1.
What is the InChIKey of ethane;3-(trifluoromethoxy)phenol?
The InChIKey is ZBJCOVFZFZWFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O2.C2H6/c8-7(9,10)12-6-3-1-2-5(11)4-6;1-2/h1-4,11H;1-2H3.
What are the key properties of ethane;3-(trifluoromethoxy)phenol?
ethane;3-(trifluoromethoxy)phenol has a molecular weight of 208.18 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(trifluoromethoxy)phenol is sourced from PubChem (CID 143201974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).