2,4-difluoro-1-methylbenzene;ethane;pentylphosphane

C14H25F2P — CID 145391519

IUPAC2,4-difluoro-1-methylbenzene;ethane;pentylphosphane
SMILESCC.CCCCCP.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.C5H13P.C2H6/c1-5-2-3-6(8)4-7(5)9;1-2-3-4-5-6;1-2/h2-4H,1H3;2-6H2,1H3;1-2H3
InChIKeyIOTWRBAONUANLJ-UHFFFAOYSA-N
MW262.32 g/mol
LogP5.35
Rot. Bonds3

About 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane

2,4-difluoro-1-methylbenzene;ethane;pentylphosphane (PubChem CID 145391519) has the molecular formula C14H25F2P and a molecular weight of 262.32 g/mol. Its IUPAC name is 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane.

Molecular Properties

Compound Name2,4-difluoro-1-methylbenzene;ethane;pentylphosphane
PubChem CID145391519
Molecular FormulaC14H25F2P
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Name2,4-difluoro-1-methylbenzene;ethane;pentylphosphane
SMILESCC.CCCCCP.Cc1ccc(F)cc1F
InChIInChI=1S/C7H6F2.C5H13P.C2H6/c1-5-2-3-6(8)4-7(5)9;1-2-3-4-5-6;1-2/h2-4H,1H3;2-6H2,1H3;1-2H3
InChIKeyIOTWRBAONUANLJ-UHFFFAOYSA-N
XLogP5.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.32
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane?
The IUPAC name of 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane (CID 145391519) is 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane.
What is the SMILES notation for 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane?
The canonical SMILES for 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane is CC.CCCCCP.Cc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane?
The InChIKey is IOTWRBAONUANLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2.C5H13P.C2H6/c1-5-2-3-6(8)4-7(5)9;1-2-3-4-5-6;1-2/h2-4H,1H3;2-6H2,1H3;1-2H3.
What are the key properties of 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane?
2,4-difluoro-1-methylbenzene;ethane;pentylphosphane has a molecular weight of 262.32 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylbenzene;ethane;pentylphosphane is sourced from PubChem (CID 145391519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).