(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane

C11H12F3P — CID 170248102

IUPAC(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
SMILESCc1cc2c(c(F)c1F)C(F)(P)C(C)C2
InChIInChI=1S/C11H12F3P/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4,15H2,1-2H3
InChIKeyNKVUZUYKLHJLAQ-UHFFFAOYSA-N
MW232.18 g/mol
LogP3.46
Rot. Bonds

About (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane

(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane (PubChem CID 170248102) has the molecular formula C11H12F3P and a molecular weight of 232.18 g/mol. Its IUPAC name is (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane.

Molecular Properties

Compound Name(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
PubChem CID170248102
Molecular FormulaC11H12F3P
Molecular Weight232.18 g/mol
Exact Mass232.06
IUPAC Name(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
SMILESCc1cc2c(c(F)c1F)C(F)(P)C(C)C2
InChIInChI=1S/C11H12F3P/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4,15H2,1-2H3
InChIKeyNKVUZUYKLHJLAQ-UHFFFAOYSA-N
XLogP3.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.18
LogP ≤ 53.46
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 (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane?
The IUPAC name of (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane (CID 170248102) is (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane.
What is the SMILES notation for (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane?
The canonical SMILES for (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane is Cc1cc2c(c(F)c1F)C(F)(P)C(C)C2.
What is the InChIKey of (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane?
The InChIKey is NKVUZUYKLHJLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3P/c1-5-3-7-4-6(2)11(14,15)8(7)10(13)9(5)12/h3,6H,4,15H2,1-2H3.
What are the key properties of (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane?
(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane has a molecular weight of 232.18 g/mol, XLogP of 3.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane is sourced from PubChem (CID 170248102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).