[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane

C12H15F2N2P — CID 146359502

IUPAC[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane
SMILESCCc1nc2c(n1C)=CCC=C(C(F)(F)P)C=2
InChIInChI=1S/C12H15F2N2P/c1-3-11-15-9-7-8(12(13,14)17)5-4-6-10(9)16(11)2/h5-7H,3-4,17H2,1-2H3
InChIKeyZOVQNTBIUHSBNI-UHFFFAOYSA-N
MW256.24 g/mol
LogP1.34
Rot. Bonds2

About [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane

[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane (PubChem CID 146359502) has the molecular formula C12H15F2N2P and a molecular weight of 256.24 g/mol. Its IUPAC name is [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane.

Molecular Properties

Compound Name[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane
PubChem CID146359502
Molecular FormulaC12H15F2N2P
Molecular Weight256.24 g/mol
Exact Mass256.09
IUPAC Name[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane
SMILESCCc1nc2c(n1C)=CCC=C(C(F)(F)P)C=2
InChIInChI=1S/C12H15F2N2P/c1-3-11-15-9-7-8(12(13,14)17)5-4-6-10(9)16(11)2/h5-7H,3-4,17H2,1-2H3
InChIKeyZOVQNTBIUHSBNI-UHFFFAOYSA-N
XLogP1.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane?
The IUPAC name of [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane (CID 146359502) is [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane.
What is the SMILES notation for [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane?
The canonical SMILES for [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane is CCc1nc2c(n1C)=CCC=C(C(F)(F)P)C=2.
What is the InChIKey of [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane?
The InChIKey is ZOVQNTBIUHSBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N2P/c1-3-11-15-9-7-8(12(13,14)17)5-4-6-10(9)16(11)2/h5-7H,3-4,17H2,1-2H3.
What are the key properties of [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane?
[(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane has a molecular weight of 256.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-ethyl-1-methyl-7H-cyclohepta[d]imidazol-5-yl)-difluoromethyl]phosphane is sourced from PubChem (CID 146359502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).