2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

C5H7ClF3NO2 — CID 103881683

IUPAC2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CCl)NCC(O)C(F)(F)F
InChIInChI=1S/C5H7ClF3NO2/c6-1-4(12)10-2-3(11)5(7,8)9/h3,11H,1-2H2,(H,10,12)
InChIKeyUEPSTXKZXGXATE-UHFFFAOYSA-N
MW205.56 g/mol
LogP0.26
Rot. Bonds3

About 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide

2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (PubChem CID 103881683) has the molecular formula C5H7ClF3NO2 and a molecular weight of 205.56 g/mol. Its IUPAC name is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
PubChem CID103881683
Molecular FormulaC5H7ClF3NO2
Molecular Weight205.56 g/mol
Exact Mass205.01
IUPAC Name2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
SMILESO=C(CCl)NCC(O)C(F)(F)F
InChIInChI=1S/C5H7ClF3NO2/c6-1-4(12)10-2-3(11)5(7,8)9/h3,11H,1-2H2,(H,10,12)
InChIKeyUEPSTXKZXGXATE-UHFFFAOYSA-N
XLogP0.26
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.56
LogP ≤ 50.26
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

Acetamide, N,N'-(2-hydroxy-1,3-propylene)bis(chloro-
CID 46875
2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
CID 3834959
(2R)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
CID 7039203
(2S)-2-chloro-2,3,3,3-tetrafluoro-N-(2-hydroxyethyl)propanamide
CID 7039204
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103881684
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103881718
2-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 103881719
3-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 105644604
3-chloro-2-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 105644612
4-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 105644619
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)propanamide
CID 105644628
3-chloro-N-(3,3-difluoro-2-hydroxypropyl)-2-methylpropanamide
CID 105644632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide (CID 103881683) is 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is O=C(CCl)NCC(O)C(F)(F)F.
What is the InChIKey of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
The InChIKey is UEPSTXKZXGXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClF3NO2/c6-1-4(12)10-2-3(11)5(7,8)9/h3,11H,1-2H2,(H,10,12).
What are the key properties of 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide?
2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide has a molecular weight of 205.56 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103881683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).