2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

C8H8F7NO — CID 129208026

IUPAC2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H8F7NO/c9-5(17)6(10,7(11,12)13)8(14,15)16-3-1-2-4-16/h1-4H2
InChIKeyXZDSYMQQWFZZCN-UHFFFAOYSA-N
MW267.14 g/mol
LogP2.44
Rot. Bonds3

About 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride

2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (PubChem CID 129208026) has the molecular formula C8H8F7NO and a molecular weight of 267.14 g/mol. Its IUPAC name is 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.

Molecular Properties

Compound Name2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
PubChem CID129208026
Molecular FormulaC8H8F7NO
Molecular Weight267.14 g/mol
Exact Mass267.05
IUPAC Name2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride
SMILESO=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1
InChIInChI=1S/C8H8F7NO/c9-5(17)6(10,7(11,12)13)8(14,15)16-3-1-2-4-16/h1-4H2
InChIKeyXZDSYMQQWFZZCN-UHFFFAOYSA-N
XLogP2.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.14
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The IUPAC name of 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride (CID 129208026) is 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride.
What is the SMILES notation for 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The canonical SMILES for 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is O=C(F)C(F)(C(F)(F)F)C(F)(F)N1CCCC1.
What is the InChIKey of 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
The InChIKey is XZDSYMQQWFZZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO/c9-5(17)6(10,7(11,12)13)8(14,15)16-3-1-2-4-16/h1-4H2.
What are the key properties of 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride?
2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride has a molecular weight of 267.14 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[difluoro(pyrrolidin-1-yl)methyl]-2,3,3,3-tetrafluoropropanoyl fluoride is sourced from PubChem (CID 129208026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).