N-(2,2-difluoro-3-hydroxypropyl)propanamide

C6H11F2NO2 — CID 104857086

IUPACN-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESCCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyYFFGVZFKRVTGTN-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.14
Rot. Bonds4

About N-(2,2-difluoro-3-hydroxypropyl)propanamide

N-(2,2-difluoro-3-hydroxypropyl)propanamide (PubChem CID 104857086) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)propanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)propanamide
PubChem CID104857086
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)propanamide
SMILESCCC(=O)NCC(F)(F)CO
InChIInChI=1S/C6H11F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11)
InChIKeyYFFGVZFKRVTGTN-UHFFFAOYSA-N
XLogP0.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-Hydroxypropyl)trifluoroacetamide
CID 1987732
N-(3-hydroxypropyl)acetamide
CID 2781177
N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
N-Ethyl-3-hydroxypropanamide
CID 15561473
Trifluoracetamidopropanol
CID 129757391
Acetamide, 2,2,2-trifluoro-N-[(1S)-2-hydroxy-1-methylethyl]-
CID 13774518
N-(3-Hydroxypropyl)butanamide
CID 15683409
2,2,2-trifluoro-N-(1-hydroxybutan-2-yl)acetamide
CID 3397679
2,2,2-Trifluoro-N-(1-hydroxypropan-2-yl)acetamide
CID 13774517
N-(1,3-dihydroxypropyl)-2,2,2-trifluoroacetamide
CID 20374862
2,2-difluoro-N-(2-hydroxyethyl)propanamide
CID 26188900
2,2-difluoro-3-hydroxy-N-methylpropanamide
CID 55299334

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)propanamide (CID 104857086) is N-(2,2-difluoro-3-hydroxypropyl)propanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)propanamide is CCC(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)propanamide?
The InChIKey is YFFGVZFKRVTGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-2-5(11)9-3-6(7,8)4-10/h10H,2-4H2,1H3,(H,9,11).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)propanamide?
N-(2,2-difluoro-3-hydroxypropyl)propanamide has a molecular weight of 167.16 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)propanamide is sourced from PubChem (CID 104857086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).