2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride

C7H12F3NOP2 — CID 170370459

IUPAC2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(P)(P)N1CCCC1
InChIInChI=1S/C7H12F3NOP2/c8-5(12)6(9,10)7(13,14)11-3-1-2-4-11/h1-4,13-14H2
InChIKeyVMLZTXUUGANPRM-UHFFFAOYSA-N
MW245.12 g/mol
LogP1.62
Rot. Bonds3

About 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride

2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride (PubChem CID 170370459) has the molecular formula C7H12F3NOP2 and a molecular weight of 245.12 g/mol. Its IUPAC name is 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride
PubChem CID170370459
Molecular FormulaC7H12F3NOP2
Molecular Weight245.12 g/mol
Exact Mass245.03
IUPAC Name2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride
SMILESO=C(F)C(F)(F)C(P)(P)N1CCCC1
InChIInChI=1S/C7H12F3NOP2/c8-5(12)6(9,10)7(13,14)11-3-1-2-4-11/h1-4,13-14H2
InChIKeyVMLZTXUUGANPRM-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride?
The IUPAC name of 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride (CID 170370459) is 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride.
What is the SMILES notation for 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride?
The canonical SMILES for 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride is O=C(F)C(F)(F)C(P)(P)N1CCCC1.
What is the InChIKey of 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride?
The InChIKey is VMLZTXUUGANPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NOP2/c8-5(12)6(9,10)7(13,14)11-3-1-2-4-11/h1-4,13-14H2.
What are the key properties of 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride?
2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride has a molecular weight of 245.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,3-bis(phosphanyl)-3-pyrrolidin-1-ylpropanoyl fluoride is sourced from PubChem (CID 170370459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).