4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide

C7H12ClF2NO2 — CID 106173130

IUPAC4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
SMILESO=C(CCCCl)NCC(F)(F)CO
InChIInChI=1S/C7H12ClF2NO2/c8-3-1-2-6(13)11-4-7(9,10)5-12/h12H,1-5H2,(H,11,13)
InChIKeyWMJLYHFUUABCAW-UHFFFAOYSA-N
MW215.63 g/mol
LogP0.75
Rot. Bonds6

About 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide

4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide (PubChem CID 106173130) has the molecular formula C7H12ClF2NO2 and a molecular weight of 215.63 g/mol. Its IUPAC name is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide.

Molecular Properties

Compound Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
PubChem CID106173130
Molecular FormulaC7H12ClF2NO2
Molecular Weight215.63 g/mol
Exact Mass215.05
IUPAC Name4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide
SMILESO=C(CCCCl)NCC(F)(F)CO
InChIInChI=1S/C7H12ClF2NO2/c8-3-1-2-6(13)11-4-7(9,10)5-12/h12H,1-5H2,(H,11,13)
InChIKeyWMJLYHFUUABCAW-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-4-hydroxybutanamide
CID 106178303
N-(2,2-difluoro-3-hydroxypropyl)-4-(4-methylphenoxy)butanamide
CID 104857867
N-(2,2-difluoro-3-hydroxypropyl)-3-oxobutanamide
CID 106173501
3-cyclopentyl-N-(2,2-difluoro-3-hydroxypropyl)propanamide
CID 104858128
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 104857752
N-(2,2-difluoro-3-hydroxypropyl)-4-(3-methylphenoxy)butanamide
CID 104858238
N-(2,2-difluoro-3-hydroxypropyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 104857888
5-chloro-N-(2-ethyl-2-hydroxybutyl)pentanamide
CID 65105586
7-amino-N-(3-amino-2,2-difluoropropyl)heptanamide
CID 122081032
N-(2,2-difluoro-3-hydroxypropyl)-3-pyrazol-1-ylpropanamide
CID 104858205
N-(3-amino-2,2-difluoropropyl)dodecanamide
CID 114383633
N-(2,2-difluoro-3-hydroxypropyl)-2-propoxyacetamide
CID 104858090

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide?
The IUPAC name of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide (CID 106173130) is 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide.
What is the SMILES notation for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide?
The canonical SMILES for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide is O=C(CCCCl)NCC(F)(F)CO.
What is the InChIKey of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide?
The InChIKey is WMJLYHFUUABCAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClF2NO2/c8-3-1-2-6(13)11-4-7(9,10)5-12/h12H,1-5H2,(H,11,13).
What are the key properties of 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide?
4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide has a molecular weight of 215.63 g/mol, XLogP of 0.75, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,2-difluoro-3-hydroxypropyl)butanamide is sourced from PubChem (CID 106173130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).