2,2-difluoro-2-piperidin-1-ylacetyl fluoride

C7H10F3NO — CID 71775720

IUPAC2,2-difluoro-2-piperidin-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C7H10F3NO/c8-6(12)7(9,10)11-4-2-1-3-5-11/h1-5H2
InChIKeyAWSOJGRXMAZSKJ-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds2

About 2,2-difluoro-2-piperidin-1-ylacetyl fluoride

2,2-difluoro-2-piperidin-1-ylacetyl fluoride (PubChem CID 71775720) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 2,2-difluoro-2-piperidin-1-ylacetyl fluoride.

Molecular Properties

Compound Name2,2-difluoro-2-piperidin-1-ylacetyl fluoride
PubChem CID71775720
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name2,2-difluoro-2-piperidin-1-ylacetyl fluoride
SMILESO=C(F)C(F)(F)N1CCCCC1
InChIInChI=1S/C7H10F3NO/c8-6(12)7(9,10)11-4-2-1-3-5-11/h1-5H2
InChIKeyAWSOJGRXMAZSKJ-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
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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Related Compounds

2,2,3,3-tetrafluoro-1,4-di(piperidin-1-yl)butane-1,4-dione
CID 4999121
1-(chloro-fluoro-piperidin-1-ylmethyl)piperidine
CID 140998804
2,2,3,3,4,4,5,5-octafluoro-1,6-di(piperidin-1-yl)hexane-1,6-dione
CID 3095784
1,5-bis(azepan-1-yl)-2,2,3,3,4,4-hexafluoropentane-1,5-dione
CID 5093018
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
N,N,2-trimethyl-2-piperidin-1-ylpropanamide
CID 118311285
2-(azocan-1-yl)-2-ethylbutanoic acid
CID 82238451
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343
3-(azocan-1-yl)-3-methylbutanoic acid
CID 164650523
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
2,2-dichloro-2-pyrrolidin-1-ylacetamide
CID 70467648
1-(1,1,2,3,3-pentafluoroprop-2-enyl)-4-(trifluoromethyl)piperazine
CID 129271427

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-piperidin-1-ylacetyl fluoride?
The IUPAC name of 2,2-difluoro-2-piperidin-1-ylacetyl fluoride (CID 71775720) is 2,2-difluoro-2-piperidin-1-ylacetyl fluoride.
What is the SMILES notation for 2,2-difluoro-2-piperidin-1-ylacetyl fluoride?
The canonical SMILES for 2,2-difluoro-2-piperidin-1-ylacetyl fluoride is O=C(F)C(F)(F)N1CCCCC1.
What is the InChIKey of 2,2-difluoro-2-piperidin-1-ylacetyl fluoride?
The InChIKey is AWSOJGRXMAZSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-6(12)7(9,10)11-4-2-1-3-5-11/h1-5H2.
What are the key properties of 2,2-difluoro-2-piperidin-1-ylacetyl fluoride?
2,2-difluoro-2-piperidin-1-ylacetyl fluoride has a molecular weight of 181.16 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-piperidin-1-ylacetyl fluoride is sourced from PubChem (CID 71775720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).