2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide

C6H8ClF2NO2 — CID 130884598

IUPAC2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(NC1CC1CO)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyMEAIUIAANKIPGH-UHFFFAOYSA-N
MW199.58 g/mol
LogP0.31
Rot. Bonds3

About 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide

2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide (PubChem CID 130884598) has the molecular formula C6H8ClF2NO2 and a molecular weight of 199.58 g/mol. Its IUPAC name is 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide.

Molecular Properties

Compound Name2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
PubChem CID130884598
Molecular FormulaC6H8ClF2NO2
Molecular Weight199.58 g/mol
Exact Mass199.02
IUPAC Name2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide
SMILESO=C(NC1CC1CO)C(F)(F)Cl
InChIInChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12)
InChIKeyMEAIUIAANKIPGH-UHFFFAOYSA-N
XLogP0.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.58
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1R,2R)-2-ethylcyclopropyl]-2,2-difluoroacetamide
CID 130718570
2-chloro-2,2-difluoro-N-[(1R,2S)-2-hydroxycyclohexyl]acetamide
CID 40538955
2-chloro-2,2-difluoro-N-(4-hydroxyoxolan-3-yl)acetamide
CID 130674365
(1S)-N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 131131616
tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]oxolane-2-carboxamide
CID 131176764
trans-(1R,2R)-2-[(2-chloro-2,2-difluoroacetyl)amino]-N-methylcyclohexane-1-carboxamide
CID 99697543
N-[(1R,2R)-2-ethylcyclopropyl]-2-hydroxy-2-methylpropanamide
CID 131131449
N-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]-3-methyloxetane-3-carboxamide
CID 131110471
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227
N-[2-(hydroxymethyl)cyclopentyl]-2,2-dimethylpropanamide
CID 103751419
N-[(1R,2R,3R,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]acetamide
CID 92534288

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The IUPAC name of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide (CID 130884598) is 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide.
What is the SMILES notation for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The canonical SMILES for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide is O=C(NC1CC1CO)C(F)(F)Cl.
What is the InChIKey of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
The InChIKey is MEAIUIAANKIPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF2NO2/c7-6(8,9)5(12)10-4-1-3(4)2-11/h3-4,11H,1-2H2,(H,10,12).
What are the key properties of 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide?
2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide has a molecular weight of 199.58 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2,2-difluoro-N-[2-(hydroxymethyl)cyclopropyl]acetamide is sourced from PubChem (CID 130884598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).