4-(2,3-difluorophenoxy)butoxyphosphane

C10H13F2O2P — CID 59036591

IUPAC4-(2,3-difluorophenoxy)butoxyphosphane
SMILESFc1cccc(OCCCCOP)c1F
InChIInChI=1S/C10H13F2O2P/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14-15/h3-5H,1-2,6-7,15H2
InChIKeyMZMYKAROQGBGNP-UHFFFAOYSA-N
MW234.18 g/mol
LogP2.93
Rot. Bonds6

About 4-(2,3-difluorophenoxy)butoxyphosphane

4-(2,3-difluorophenoxy)butoxyphosphane (PubChem CID 59036591) has the molecular formula C10H13F2O2P and a molecular weight of 234.18 g/mol. Its IUPAC name is 4-(2,3-difluorophenoxy)butoxyphosphane.

Molecular Properties

Compound Name4-(2,3-difluorophenoxy)butoxyphosphane
PubChem CID59036591
Molecular FormulaC10H13F2O2P
Molecular Weight234.18 g/mol
Exact Mass234.06
IUPAC Name4-(2,3-difluorophenoxy)butoxyphosphane
SMILESFc1cccc(OCCCCOP)c1F
InChIInChI=1S/C10H13F2O2P/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14-15/h3-5H,1-2,6-7,15H2
InChIKeyMZMYKAROQGBGNP-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
1-dodecoxy-2,3-difluorobenzene
CID 15854521
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1,2-difluoro-3-pent-4-ynoxybenzene
CID 115871030
1,2-difluoro-3-(2-methylsulfanylethoxy)benzene
CID 103907571
5-(2,3-difluorophenoxy)pentan-2-ol
CID 63036089
1,2-difluoro-3-(3-methoxybutoxy)benzene
CID 90941481
N-[3-(2,3-difluorophenoxy)propyl]aniline
CID 55143618
CID 175374084
CID 175374084
5-(2,3-difluorophenoxy)pentanehydrazide
CID 63569509
1-[2-(2-chloroethoxy)ethoxy]-2,3-difluorobenzene
CID 63665653

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenoxy)butoxyphosphane?
The IUPAC name of 4-(2,3-difluorophenoxy)butoxyphosphane (CID 59036591) is 4-(2,3-difluorophenoxy)butoxyphosphane.
What is the SMILES notation for 4-(2,3-difluorophenoxy)butoxyphosphane?
The canonical SMILES for 4-(2,3-difluorophenoxy)butoxyphosphane is Fc1cccc(OCCCCOP)c1F.
What is the InChIKey of 4-(2,3-difluorophenoxy)butoxyphosphane?
The InChIKey is MZMYKAROQGBGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2O2P/c11-8-4-3-5-9(10(8)12)13-6-1-2-7-14-15/h3-5H,1-2,6-7,15H2.
What are the key properties of 4-(2,3-difluorophenoxy)butoxyphosphane?
4-(2,3-difluorophenoxy)butoxyphosphane has a molecular weight of 234.18 g/mol, XLogP of 2.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenoxy)butoxyphosphane is sourced from PubChem (CID 59036591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).