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

C7H13F2NO2 — CID 103513988

IUPACN-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-10(4-3-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3
InChIKeyGMQRAJIXZAXLEU-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.48
Rot. Bonds5

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

N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide (PubChem CID 103513988) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide.

Molecular Properties

Compound NameN-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
PubChem CID103513988
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide
SMILESCCN(CCCO)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-10(4-3-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3
InChIKeyGMQRAJIXZAXLEU-UHFFFAOYSA-N
XLogP0.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The IUPAC name of N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide (CID 103513988) is N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide.
What is the SMILES notation for N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The canonical SMILES for N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide is CCN(CCCO)C(=O)C(F)F.
What is the InChIKey of N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
The InChIKey is GMQRAJIXZAXLEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-2-10(4-3-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide?
N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide has a molecular weight of 181.18 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-difluoro-N-(3-hydroxypropyl)acetamide is sourced from PubChem (CID 103513988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).