1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol

C10H9F6NO2 — CID 22675955

IUPAC1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccccc1OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6NO2/c11-9(12,13)8(18)5-17-6-3-1-2-4-7(6)19-10(14,15)16/h1-4,8,17-18H,5H2
InChIKeyRQGDUQZDCHVUHR-UHFFFAOYSA-N
MW289.18 g/mol
LogP2.92
Rot. Bonds4

About 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol

1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol (PubChem CID 22675955) has the molecular formula C10H9F6NO2 and a molecular weight of 289.18 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
PubChem CID22675955
Molecular FormulaC10H9F6NO2
Molecular Weight289.18 g/mol
Exact Mass289.05
IUPAC Name1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol
SMILESOC(CNc1ccccc1OC(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H9F6NO2/c11-9(12,13)8(18)5-17-6-3-1-2-4-7(6)19-10(14,15)16/h1-4,8,17-18H,5H2
InChIKeyRQGDUQZDCHVUHR-UHFFFAOYSA-N
XLogP2.92
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1-(2-hydroxy-3,3-dimethylbutyl)-3-[2-(trifluoromethoxy)phenyl]urea
CID 111431252
1-pyrazol-1-yl-3-[2-(trifluoromethoxy)anilino]propan-2-ol
CID 60897534
1-chloro-3-[2-[2-(trifluoromethoxy)phenyl]anilino]propan-2-ol
CID 168638306
N-iodo-2-(trifluoromethoxy)aniline
CID 145093219
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
N-(2-bromoprop-2-enyl)-2-(trifluoromethoxy)aniline
CID 60874127
3-[2-(1,1,2,2-tetrafluoroethoxy)anilino]propane-1,2-diol
CID 168596052
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
2-[2-(trifluoromethoxy)anilino]butanoic acid
CID 64668144

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol (CID 22675955) is 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol is OC(CNc1ccccc1OC(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
The InChIKey is RQGDUQZDCHVUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6NO2/c11-9(12,13)8(18)5-17-6-3-1-2-4-7(6)19-10(14,15)16/h1-4,8,17-18H,5H2.
What are the key properties of 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol?
1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol has a molecular weight of 289.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(trifluoromethoxy)anilino]propan-2-ol is sourced from PubChem (CID 22675955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).