(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane

C16H25F2P — CID 22638408

IUPAC(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane
SMILESCCCCC(CC)CCP(C)c1cc(F)ccc1F
InChIInChI=1S/C16H25F2P/c1-4-6-7-13(5-2)10-11-19(3)16-12-14(17)8-9-15(16)18/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyVKCWZXKEURNKSM-UHFFFAOYSA-N
MW286.35 g/mol
LogP5.31
Rot. Bonds8

About (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane

(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane (PubChem CID 22638408) has the molecular formula C16H25F2P and a molecular weight of 286.35 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane
PubChem CID22638408
Molecular FormulaC16H25F2P
Molecular Weight286.35 g/mol
Exact Mass286.17
IUPAC Name(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane
SMILESCCCCC(CC)CCP(C)c1cc(F)ccc1F
InChIInChI=1S/C16H25F2P/c1-4-6-7-13(5-2)10-11-19(3)16-12-14(17)8-9-15(16)18/h8-9,12-13H,4-7,10-11H2,1-3H3
InChIKeyVKCWZXKEURNKSM-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.35
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-(2-ethylhexyl)-2,4-difluorobenzene;titanium
CID 174433926
N-(3-ethylheptyl)-2,5-difluoro-N-hexylaniline
CID 18388713
N-[1-(2,4-difluorophenyl)ethyl]-2-ethylhexan-1-amine
CID 43103346
1-(2,4-difluorophenyl)-4-ethyloctan-2-one
CID 64558686
1-(2-ethylhexyl)-6-fluoroindole
CID 116619809
2-ethyl-N-[(2-fluoro-5-methylphenyl)methyl]hexan-1-amine
CID 114053767
N,N-bis(2-ethylhexyl)-2,4-difluorobenzamide
CID 91717598
4-chloro-N-(2-ethylhexyl)-2-fluoroaniline
CID 55197144
N-(2-ethylhexyl)-2,5-difluoro-N-(3-methoxyphenyl)aniline
CID 155461686
2-ethyl-N-[1-(3-fluorophenyl)propyl]hexan-1-amine
CID 114871074
(2,5-difluorophenyl)-(3-ethylheptyl)-propylphosphanium;tetrakis(5-ethyl-2-methyloctyl)boranuide
CID 22637796
1-(2-bromo-5-fluorophenyl)-3-ethyl-N-propylheptan-1-amine
CID 115806713

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane?
The IUPAC name of (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane (CID 22638408) is (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane.
What is the SMILES notation for (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane?
The canonical SMILES for (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane is CCCCC(CC)CCP(C)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane?
The InChIKey is VKCWZXKEURNKSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2P/c1-4-6-7-13(5-2)10-11-19(3)16-12-14(17)8-9-15(16)18/h8-9,12-13H,4-7,10-11H2,1-3H3.
What are the key properties of (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane?
(2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane has a molecular weight of 286.35 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-difluorophenyl)-(3-ethylheptyl)-methylphosphane is sourced from PubChem (CID 22638408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).