3-(1,1,1-trifluoropropan-2-yloxy)phenol

C9H9F3O2 — CID 117095393

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)phenol
SMILESCC(Oc1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(9(10,11)12)14-8-4-2-3-7(13)5-8/h2-6,13H,1H3
InChIKeyROVZEFSZJMNBRL-UHFFFAOYSA-N
MW206.16 g/mol
LogP2.72
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)phenol

3-(1,1,1-trifluoropropan-2-yloxy)phenol (PubChem CID 117095393) has the molecular formula C9H9F3O2 and a molecular weight of 206.16 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)phenol.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)phenol
PubChem CID117095393
Molecular FormulaC9H9F3O2
Molecular Weight206.16 g/mol
Exact Mass206.06
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)phenol
SMILESCC(Oc1cccc(O)c1)C(F)(F)F
InChIInChI=1S/C9H9F3O2/c1-6(9(10,11)12)14-8-4-2-3-7(13)5-8/h2-6,13H,1H3
InChIKeyROVZEFSZJMNBRL-UHFFFAOYSA-N
XLogP2.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.16
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

benzene-1,3-diol;3-propan-2-yloxyphenol
CID 159090607
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
3-(3-hydroxybutan-2-yloxy)phenol
CID 77394204
3-but-3-en-2-yloxyphenol
CID 62384342
ethane;3-(trifluoromethoxy)phenol
CID 143201974
3-(2,2-dichloro-1,1-difluoroethoxy)phenol
CID 154087912
3-(1-fluorobutoxy)phenol
CID 174949464
3-[1-[2-methoxy-4-(trifluoromethyl)phenyl]ethoxy]phenol
CID 173159432
3-(2-fluoropropoxy)phenol
CID 84653742
3-[1-(azetidin-3-yl)ethoxy]phenol
CID 105447139
sodium 3-methoxyphenol
CID 19079440
ethane;3-methoxyphenol
CID 142018283

Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)phenol?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)phenol (CID 117095393) is 3-(1,1,1-trifluoropropan-2-yloxy)phenol.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)phenol?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)phenol is CC(Oc1cccc(O)c1)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)phenol?
The InChIKey is ROVZEFSZJMNBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2/c1-6(9(10,11)12)14-8-4-2-3-7(13)5-8/h2-6,13H,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)phenol?
3-(1,1,1-trifluoropropan-2-yloxy)phenol has a molecular weight of 206.16 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)phenol is sourced from PubChem (CID 117095393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).