2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C5H8ClF2NO2 — CID 103881718

IUPAC2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CCl)NCC(O)C(F)F
InChIInChI=1S/C5H8ClF2NO2/c6-1-4(11)9-2-3(10)5(7)8/h3,5,10H,1-2H2,(H,9,11)
InChIKeyIZEVWDNLXBRXIM-UHFFFAOYSA-N
MW187.57 g/mol
LogP-0.03
Rot. Bonds4

About 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103881718) has the molecular formula C5H8ClF2NO2 and a molecular weight of 187.57 g/mol. Its IUPAC name is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103881718
Molecular FormulaC5H8ClF2NO2
Molecular Weight187.57 g/mol
Exact Mass187.02
IUPAC Name2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CCl)NCC(O)C(F)F
InChIInChI=1S/C5H8ClF2NO2/c6-1-4(11)9-2-3(10)5(7)8/h3,5,10H,1-2H2,(H,9,11)
InChIKeyIZEVWDNLXBRXIM-UHFFFAOYSA-N
XLogP-0.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.57
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103881718) is 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(CCl)NCC(O)C(F)F.
What is the InChIKey of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is IZEVWDNLXBRXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClF2NO2/c6-1-4(11)9-2-3(10)5(7)8/h3,5,10H,1-2H2,(H,9,11).
What are the key properties of 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 187.57 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103881718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).