1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol

C10H11F3O — CID 58227076

IUPAC1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2/i2D2,4D2,6D2
InChIKeyQWXKQVIMGVVIBX-JIKIKKOASA-N
MW210.23 g/mol
LogP2.63
Rot. Bonds3

About 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol

1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 58227076) has the molecular formula C10H11F3O and a molecular weight of 210.23 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID58227076
Molecular FormulaC10H11F3O
Molecular Weight210.23 g/mol
Exact Mass210.11
IUPAC Name1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol
SMILES[2H]C([2H])(O)C([2H])([2H])C([2H])([2H])c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2/i2D2,4D2,6D2
InChIKeyQWXKQVIMGVVIBX-JIKIKKOASA-N
XLogP2.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,1,2,2-tetradeuteriopropyl)-3-(trifluoromethyl)benzene
CID 58227067
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-[[3-(trifluoromethyl)phenyl]methyl]butan-1-ol
CID 66058572
acetic acid;[3-(trifluoromethyl)phenyl]methanol
CID 71340400
[5-[[3-(trifluoromethyl)phenyl]methyl]-1H-pyrazol-3-yl]methanol
CID 115092939
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
2-methyl-2-[[3-(trifluoromethyl)phenyl]methyl]pentan-1-ol
CID 66025237
1-(2,2,3,3,3-pentafluoropropyl)-3-(trifluoromethyl)benzene
CID 139245537
1-(2-chloro-2-phenylethyl)-3-(trifluoromethyl)benzene
CID 4737547
ethyl-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 40609421
3-[3-(trifluoromethyl)phenyl]prop-1-en-1-ol
CID 67931210
[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]azanium
CID 38988975

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol (CID 58227076) is 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol is [2H]C([2H])(O)C([2H])([2H])C([2H])([2H])c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is QWXKQVIMGVVIBX-JIKIKKOASA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2/i2D2,4D2,6D2.
What are the key properties of 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol?
1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 210.23 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexadeuterio-3-[3-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 58227076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).