N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide

C9H14F2N2O2 — CID 107479313

IUPACN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-2-3-12-6-9(15)13(4-5-14)7-8(10)11/h1,8,12,14H,3-7H2
InChIKeyISYWSRGZBALOKO-UHFFFAOYSA-N
MW220.22 g/mol
LogP-0.70
Rot. Bonds7

About N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide

N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide (PubChem CID 107479313) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
PubChem CID107479313
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC NameN-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
SMILESC#CCNCC(=O)N(CCO)CC(F)F
InChIInChI=1S/C9H14F2N2O2/c1-2-3-12-6-9(15)13(4-5-14)7-8(10)11/h1,8,12,14H,3-7H2
InChIKeyISYWSRGZBALOKO-UHFFFAOYSA-N
XLogP-0.70
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoroethyl)-2-(ethylamino)-N-(2-hydroxyethyl)acetamide
CID 107479472
N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287495
N,N-dipropyl-2-(prop-2-ynylamino)acetamide
CID 112722308
N-[2-(diethylamino)ethyl]-N-(2-methylpropyl)-2-(prop-2-ynylamino)acetamide
CID 79287756
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3,3-dimethylbutanamide
CID 107483272
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-sulfanylacetamide
CID 107494882
N-butyl-N-ethyl-2-(prop-2-ynylamino)acetamide
CID 112722315
ethyl N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)carbamate
CID 107483466
N-cyclohexyl-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79287573
4-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-3-methylbutanamide
CID 107479371
6-[2,2-difluoroethyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 107478961
N-ethyl-N-(2-methoxyethyl)-2-(prop-2-ynylamino)acetamide
CID 79286437

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide (CID 107479313) is N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide is C#CCNCC(=O)N(CCO)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
The InChIKey is ISYWSRGZBALOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O2/c1-2-3-12-6-9(15)13(4-5-14)7-8(10)11/h1,8,12,14H,3-7H2.
What are the key properties of N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide?
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide has a molecular weight of 220.22 g/mol, XLogP of -0.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(prop-2-ynylamino)acetamide is sourced from PubChem (CID 107479313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).