(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol

C12H12F7NO2 — CID 11955347

IUPAC(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
SMILESO[C@H](CNCc1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H12F7NO2/c13-10(14)12(18,19)22-8-3-1-2-7(4-8)5-20-6-9(21)11(15,16)17/h1-4,9-10,20-21H,5-6H2/t9-/m1/s1
InChIKeyWAUKIJJQHUNAQR-SECBINFHSA-N
MW335.22 g/mol
LogP2.94
Rot. Bonds7

About (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol

(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol (PubChem CID 11955347) has the molecular formula C12H12F7NO2 and a molecular weight of 335.22 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
PubChem CID11955347
Molecular FormulaC12H12F7NO2
Molecular Weight335.22 g/mol
Exact Mass335.08
IUPAC Name(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol
SMILESO[C@H](CNCc1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F
InChIInChI=1S/C12H12F7NO2/c13-10(14)12(18,19)22-8-3-1-2-7(4-8)5-20-6-9(21)11(15,16)17/h1-4,9-10,20-21H,5-6H2/t9-/m1/s1
InChIKeyWAUKIJJQHUNAQR-SECBINFHSA-N
XLogP2.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol with MolForge

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Related Compounds

3-[[3-(difluoromethyl)phenyl]methylamino]-1,1,1-trifluoropropan-2-ol
CID 114093162
1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 83306649
(2R)-1-[[3-(trifluoromethoxy)phenyl]methylamino]propan-2-ol
CID 86814419
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine
CID 18407225
2,5-difluoro-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]aniline
CID 11002165
2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanamine
CID 3053563
[[3-(trifluoromethoxy)phenyl]methylamino]methanethiol
CID 59517995
3-[3-[(3,5-difluorophenyl)methoxy]-2-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 142665984
3-[3-bromo-N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]anilino]-1,1,1-trifluoropropan-2-ol
CID 10863893
3-[(3-ethoxyphenyl)methylamino]-1,1-difluoropropan-2-ol
CID 103731605
1,1,1-trifluoro-3-[N-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]methyl]anilino]propan-2-ol
CID 23378761

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol (CID 11955347) is (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol is O[C@H](CNCc1cccc(OC(F)(F)C(F)F)c1)C(F)(F)F.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol?
The InChIKey is WAUKIJJQHUNAQR-SECBINFHSA-N. The full InChI is InChI=1S/C12H12F7NO2/c13-10(14)12(18,19)22-8-3-1-2-7(4-8)5-20-6-9(21)11(15,16)17/h1-4,9-10,20-21H,5-6H2/t9-/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol has a molecular weight of 335.22 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[[3-(1,1,2,2-tetrafluoroethoxy)phenyl]methylamino]propan-2-ol is sourced from PubChem (CID 11955347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).