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

C7H11F5N2O2 — CID 103770032

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)C(F)F
InChIInChI=1S/C7H11F5N2O2/c8-6(9)4(15)1-14-5(16)2-13-3-7(10,11)12/h4,6,13,15H,1-3H2,(H,14,16)
InChIKeyPMFPLIZWIQSMBU-UHFFFAOYSA-N
MW250.17 g/mol
LogP-0.12
Rot. Bonds6

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 103770032) has the molecular formula C7H11F5N2O2 and a molecular weight of 250.17 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID103770032
Molecular FormulaC7H11F5N2O2
Molecular Weight250.17 g/mol
Exact Mass250.07
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESO=C(CNCC(F)(F)F)NCC(O)C(F)F
InChIInChI=1S/C7H11F5N2O2/c8-6(9)4(15)1-14-5(16)2-13-3-7(10,11)12/h4,6,13,15H,1-3H2,(H,14,16)
InChIKeyPMFPLIZWIQSMBU-UHFFFAOYSA-N
XLogP-0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2,2-trifluoroethylamino)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726464
N-(2,3-dihydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79260585
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylamino)acetamide
CID 103810605
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
N-(2-methylbutyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 79261008
N-ethyl-2-(2,2,2-trifluoroethylamino)acetamide
CID 28595910
N-(2-piperidin-1-ylpropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 78957846
N-[2-(dimethylamino)-4-methylpentyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78963004
2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103843951
N-(2-oxo-2-pyrrolidin-1-ylethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 113235197
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
CID 103770162

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 103770032) is N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is O=C(CNCC(F)(F)F)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is PMFPLIZWIQSMBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F5N2O2/c8-6(9)4(15)1-14-5(16)2-13-3-7(10,11)12/h4,6,13,15H,1-3H2,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 250.17 g/mol, XLogP of -0.12, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 103770032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).