propan-2-ol;trifluoromethoxybenzene

C10H13F3O2 — CID 161029707

IUPACpropan-2-ol;trifluoromethoxybenzene
SMILESCC(C)O.FC(F)(F)Oc1ccccc1
InChIInChI=1S/C7H5F3O.C3H8O/c8-7(9,10)11-6-4-2-1-3-5-6;1-3(2)4/h1-5H;3-4H,1-2H3
InChIKeyTZLFFOUOJMPBDI-UHFFFAOYSA-N
MW222.21 g/mol
LogP2.97
Rot. Bonds1

About propan-2-ol;trifluoromethoxybenzene

propan-2-ol;trifluoromethoxybenzene (PubChem CID 161029707) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is propan-2-ol;trifluoromethoxybenzene.

Molecular Properties

Compound Namepropan-2-ol;trifluoromethoxybenzene
PubChem CID161029707
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Namepropan-2-ol;trifluoromethoxybenzene
SMILESCC(C)O.FC(F)(F)Oc1ccccc1
InChIInChI=1S/C7H5F3O.C3H8O/c8-7(9,10)11-6-4-2-1-3-5-6;1-3(2)4/h1-5H;3-4H,1-2H3
InChIKeyTZLFFOUOJMPBDI-UHFFFAOYSA-N
XLogP2.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trifluoromethoxybenzene
CID 157402708
trifluoromethoxybenzene fluoride
CID 158305019
(R)-phenyl-[4-(trifluoromethoxy)phenyl]methanol
CID 95251088
1-bromo-4-(trifluoromethoxy)benzene;trifluoromethoxybenzene
CID 157398822
isothiocyanic acid;trifluoromethoxybenzene
CID 175112094
(2S)-2-phenoxy-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 934380
2-amino-2-phenyl-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 62718138
(2R)-2-[3-(trifluoromethoxy)phenyl]propanoic acid
CID 175718270
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
1-[4-[3-(trifluoromethoxy)phenyl]phenyl]ethanol
CID 154304845
benzyl 2-[4-(trifluoromethoxy)phenyl]propanoate
CID 138500834
1-chloropentane;sulfane;trifluoromethoxybenzene
CID 174892257

Frequently Asked Questions

What is the IUPAC name of propan-2-ol;trifluoromethoxybenzene?
The IUPAC name of propan-2-ol;trifluoromethoxybenzene (CID 161029707) is propan-2-ol;trifluoromethoxybenzene.
What is the SMILES notation for propan-2-ol;trifluoromethoxybenzene?
The canonical SMILES for propan-2-ol;trifluoromethoxybenzene is CC(C)O.FC(F)(F)Oc1ccccc1.
What is the InChIKey of propan-2-ol;trifluoromethoxybenzene?
The InChIKey is TZLFFOUOJMPBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O.C3H8O/c8-7(9,10)11-6-4-2-1-3-5-6;1-3(2)4/h1-5H;3-4H,1-2H3.
What are the key properties of propan-2-ol;trifluoromethoxybenzene?
propan-2-ol;trifluoromethoxybenzene has a molecular weight of 222.21 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ol;trifluoromethoxybenzene is sourced from PubChem (CID 161029707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).