ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane

C10H14F3P — CID 142595133

IUPACethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane
SMILESCC.Cc1cccc(P)c1C(F)(F)F
InChIInChI=1S/C8H8F3P.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4H,12H2,1H3;1-2H3
InChIKeyAWVSXHQMUBOWFB-UHFFFAOYSA-N
MW222.19 g/mol
LogP3.54
Rot. Bonds

About ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane

ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane (PubChem CID 142595133) has the molecular formula C10H14F3P and a molecular weight of 222.19 g/mol. Its IUPAC name is ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Nameethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane
PubChem CID142595133
Molecular FormulaC10H14F3P
Molecular Weight222.19 g/mol
Exact Mass222.08
IUPAC Nameethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane
SMILESCC.Cc1cccc(P)c1C(F)(F)F
InChIInChI=1S/C8H8F3P.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4H,12H2,1H3;1-2H3
InChIKeyAWVSXHQMUBOWFB-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane (CID 142595133) is ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane is CC.Cc1cccc(P)c1C(F)(F)F.
What is the InChIKey of ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane?
The InChIKey is AWVSXHQMUBOWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3P.C2H6/c1-5-3-2-4-6(12)7(5)8(9,10)11;1-2/h2-4H,12H2,1H3;1-2H3.
What are the key properties of ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane?
ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane has a molecular weight of 222.19 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[3-methyl-2-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 142595133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).