dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane

C12H16F3Sb — CID 87141209

IUPACdimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
SMILESCC(Cc1ccc(C(F)(F)F)cc1)[Sb](C)C
InChIInChI=1S/C10H10F3.2CH3.Sb/c1-2-3-8-4-6-9(7-5-8)10(11,12)13;;;/h2,4-7H,3H2,1H3;2*1H3;
InChIKeyNWACSQLOLVEFDU-UHFFFAOYSA-N
MW339.01 g/mol
LogP4.39
Rot. Bonds3

About dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane

dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane (PubChem CID 87141209) has the molecular formula C12H16F3Sb and a molecular weight of 339.01 g/mol. Its IUPAC name is dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane.

Molecular Properties

Compound Namedimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
PubChem CID87141209
Molecular FormulaC12H16F3Sb
Molecular Weight339.01 g/mol
Exact Mass338.02
IUPAC Namedimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
SMILESCC(Cc1ccc(C(F)(F)F)cc1)[Sb](C)C
InChIInChI=1S/C10H10F3.2CH3.Sb/c1-2-3-8-4-6-9(7-5-8)10(11,12)13;;;/h2,4-7H,3H2,1H3;2*1H3;
InChIKeyNWACSQLOLVEFDU-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.01
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methyltellanylpropyl)-4-(trifluoromethyl)benzene
CID 23075300
1-[2-(1-chloroethyl)-3-methylbutyl]-4-(trifluoromethyl)benzene
CID 63472261
3-ethoxy-1-[4-(trifluoromethyl)phenyl]butan-2-amine
CID 64541975
2-methyl-N-(2-methylpropyl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 55083992
1-(2-chloro-3-cyclopropylbutyl)-4-(trifluoromethyl)benzene
CID 83149862
3-methyl-4-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 114222114
[5-methyl-1-[4-(trifluoromethyl)phenyl]hexan-2-yl]hydrazine
CID 105207598
(2R)-4-methyl-3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 66767433
N-propan-2-yl-2-[[4-(trifluoromethyl)phenyl]methyl]butan-1-amine
CID 55082770
ethyl 2-amino-3-[4-(trifluoromethyl)phenyl]propanoate
CID 3372676
bis[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 102517690
1-methoxy-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 62606366

Frequently Asked Questions

What is the IUPAC name of dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane?
The IUPAC name of dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane (CID 87141209) is dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane.
What is the SMILES notation for dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane?
The canonical SMILES for dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane is CC(Cc1ccc(C(F)(F)F)cc1)[Sb](C)C.
What is the InChIKey of dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane?
The InChIKey is NWACSQLOLVEFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3.2CH3.Sb/c1-2-3-8-4-6-9(7-5-8)10(11,12)13;;;/h2,4-7H,3H2,1H3;2*1H3;.
What are the key properties of dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane?
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane has a molecular weight of 339.01 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane is sourced from PubChem (CID 87141209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).