2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride

C7H10ClF2NO — CID 105451153

IUPAC2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
SMILESO=C(Cl)C(F)(F)CC1CCCN1
InChIInChI=1S/C7H10ClF2NO/c8-6(12)7(9,10)4-5-2-1-3-11-5/h5,11H,1-4H2
InChIKeyMHAFXIXBAHSUHZ-UHFFFAOYSA-N
MW197.61 g/mol
LogP1.53
Rot. Bonds3

About 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride

2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride (PubChem CID 105451153) has the molecular formula C7H10ClF2NO and a molecular weight of 197.61 g/mol. Its IUPAC name is 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride.

Molecular Properties

Compound Name2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
PubChem CID105451153
Molecular FormulaC7H10ClF2NO
Molecular Weight197.61 g/mol
Exact Mass197.04
IUPAC Name2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
SMILESO=C(Cl)C(F)(F)CC1CCCN1
InChIInChI=1S/C7H10ClF2NO/c8-6(12)7(9,10)4-5-2-1-3-11-5/h5,11H,1-4H2
InChIKeyMHAFXIXBAHSUHZ-UHFFFAOYSA-N
XLogP1.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.61
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyrrolidin-2-ylmethyl carbonochloridate
CID 175149666
pyrrolidin-2-ylmethanol;2,2,2-trifluoroacetic acid
CID 159288961
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305
2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
CID 105440883
6,6,6-trifluoro-1-pyrrolidin-2-ylhexan-2-one
CID 116560929
2,2,2-trifluoro-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 87470013
tert-butyl formate;[(2R)-pyrrolidin-2-yl]methyl carbonochloridate
CID 175149663
N-[[(2S)-piperidin-2-yl]methyl]-N-(trifluoromethyl)acetamide
CID 97170855
N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81478379
2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
CID 131064786
1-cyclopentyl-2-pyrrolidin-2-ylethanone
CID 79538692
[(2S)-pyrrolidin-2-yl]methyl N,N-dimethylcarbamate
CID 90890613

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride?
The IUPAC name of 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride (CID 105451153) is 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride.
What is the SMILES notation for 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride?
The canonical SMILES for 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride is O=C(Cl)C(F)(F)CC1CCCN1.
What is the InChIKey of 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride?
The InChIKey is MHAFXIXBAHSUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2NO/c8-6(12)7(9,10)4-5-2-1-3-11-5/h5,11H,1-4H2.
What are the key properties of 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride?
2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride has a molecular weight of 197.61 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride is sourced from PubChem (CID 105451153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).