1,1,1-trifluoro-3-phenylselanylpropan-2-ol

C9H9F3OSe — CID 134993277

IUPAC1,1,1-trifluoro-3-phenylselanylpropan-2-ol
SMILESOC(C[Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3OSe/c10-9(11,12)8(13)6-14-7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeySXFLWKVSYZYTDJ-UHFFFAOYSA-N
MW269.12 g/mol
LogP1.36
Rot. Bonds3

About 1,1,1-trifluoro-3-phenylselanylpropan-2-ol

1,1,1-trifluoro-3-phenylselanylpropan-2-ol (PubChem CID 134993277) has the molecular formula C9H9F3OSe and a molecular weight of 269.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-phenylselanylpropan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-phenylselanylpropan-2-ol
PubChem CID134993277
Molecular FormulaC9H9F3OSe
Molecular Weight269.12 g/mol
Exact Mass269.98
IUPAC Name1,1,1-trifluoro-3-phenylselanylpropan-2-ol
SMILESOC(C[Se]c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H9F3OSe/c10-9(11,12)8(13)6-14-7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeySXFLWKVSYZYTDJ-UHFFFAOYSA-N
XLogP1.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.12
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-phenylselanylbutan-2-ol
CID 12504209
2-methylpropylselanylbenzene
CID 12544088
2-[(1R)-1-hydroxy-2-phenylselanylethyl]phenol
CID 168868522
(1R)-1-(4-tert-butylphenyl)-2-phenylselanylethanol
CID 168868530
(2-bromo-2,2-difluoroethyl)selanylbenzene
CID 12578037
1-(3-iodophenyl)-2-phenylselanylethanol
CID 139217896
(1S)-2-phenylselanyl-1-thiophen-2-ylethanol
CID 101427746
5,5,5-trifluoro-1-phenylpentane-1,4-diol
CID 79423436
(2S)-1-phenylselanyloctan-2-ol
CID 71415328
(2R)-3-(dibenzylamino)-1,1,1-trifluoropropan-2-ol
CID 1488046
(2R)-3-(benzylamino)-1,1,1-trifluoropropan-2-ol
CID 1477381
(2S)-3-methyl-1-phenylselanylbutan-2-amine
CID 11572279

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-phenylselanylpropan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-phenylselanylpropan-2-ol (CID 134993277) is 1,1,1-trifluoro-3-phenylselanylpropan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-phenylselanylpropan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-phenylselanylpropan-2-ol is OC(C[Se]c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-phenylselanylpropan-2-ol?
The InChIKey is SXFLWKVSYZYTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3OSe/c10-9(11,12)8(13)6-14-7-4-2-1-3-5-7/h1-5,8,13H,6H2.
What are the key properties of 1,1,1-trifluoro-3-phenylselanylpropan-2-ol?
1,1,1-trifluoro-3-phenylselanylpropan-2-ol has a molecular weight of 269.12 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-phenylselanylpropan-2-ol is sourced from PubChem (CID 134993277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).