1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

C10H11F3OSe — CID 139265575

IUPAC1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)([SeH])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3OSe/c1-2-9(14,15)7-3-5-8(6-4-7)10(11,12)13/h3-6,14-15H,2H2,1H3
InChIKeyDSMBAICCQPZUPU-UHFFFAOYSA-N
MW283.15 g/mol
LogP2.16
Rot. Bonds2

About 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol

1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (PubChem CID 139265575) has the molecular formula C10H11F3OSe and a molecular weight of 283.15 g/mol. Its IUPAC name is 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
PubChem CID139265575
Molecular FormulaC10H11F3OSe
Molecular Weight283.15 g/mol
Exact Mass283.99
IUPAC Name1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol
SMILESCCC(O)([SeH])c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H11F3OSe/c1-2-9(14,15)7-3-5-8(6-4-7)10(11,12)13/h3-6,14-15H,2H2,1H3
InChIKeyDSMBAICCQPZUPU-UHFFFAOYSA-N
XLogP2.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.15
LogP ≤ 52.16
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

(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962
2-methyl-3-[4-(trifluoromethyl)phenyl]pentan-3-ol
CID 62788141
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-amino-2-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62774941
1-ethyl-4-(trifluoromethyl)benzene;hexane
CID 143348513
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-4-(trifluoromethyl)benzamide
CID 103602168
3-methyl-1-[4-(trifluoromethyl)phenyl]pentane-2,3-diol
CID 103448650
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
1-butoxy-4-(trifluoromethyl)benzene
CID 16731800
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
N-(2-ethyl-2-hydroxybutyl)-4-(trifluoromethyl)benzamide
CID 65112295
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565

Frequently Asked Questions

What is the IUPAC name of 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The IUPAC name of 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol (CID 139265575) is 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol.
What is the SMILES notation for 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The canonical SMILES for 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is CCC(O)([SeH])c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
The InChIKey is DSMBAICCQPZUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3OSe/c1-2-9(14,15)7-3-5-8(6-4-7)10(11,12)13/h3-6,14-15H,2H2,1H3.
What are the key properties of 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol?
1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol has a molecular weight of 283.15 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-selanyl-1-[4-(trifluoromethyl)phenyl]propan-1-ol is sourced from PubChem (CID 139265575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).