2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide

C7H13F2NO2 — CID 103513896

IUPAC2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3
InChIKeyPWVRSQAMRFEHEV-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.48
Rot. Bonds5

About 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide

2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide (PubChem CID 103513896) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
PubChem CID103513896
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide
SMILESCCCN(CCO)C(=O)C(F)F
InChIInChI=1S/C7H13F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3
InChIKeyPWVRSQAMRFEHEV-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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Related Compounds

N,N-bis(2-hydroxyethyl)acetamide
CID 9793833
N-(2-hydroxyethyl)-N-methylacetamide
CID 10510843
N-bis(2-hydroxyethyl)propanamide
CID 112269
N-methyl-N-trifluoroacetyl ethanoloamine
CID 57161818
N-Ethyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 60999971
2,2,3,3,4,4,4-Heptafluoro-N-(2-hydroxyethyl)-N-methylbutanamide
CID 91737616
N-(2-hydroxyethyl)-N-methylpropionamide
CID 19991879
2,2,2-trifluoro-N-(2-hydroxyethyl)-N-propylacetamide
CID 61424901
N-butyl-2,2,2-trifluoro-N-(2-hydroxyethyl)acetamide
CID 61448362
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 64590692
Acetamide, trifluoro-N-trifluoroacetyl-N-(2-hydroxyethyl)-
CID 91712836
2,2,3,3,3-Pentafluoro-N-(2-hydroxyethyl)-N-methylpropanamide
CID 91730500

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide?
The IUPAC name of 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide (CID 103513896) is 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide?
The canonical SMILES for 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide is CCCN(CCO)C(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide?
The InChIKey is PWVRSQAMRFEHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c1-2-3-10(4-5-11)7(12)6(8)9/h6,11H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide?
2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide 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 2,2-difluoro-N-(2-hydroxyethyl)-N-propylacetamide is sourced from PubChem (CID 103513896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).