2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

C10H17F4NO2 — CID 103733867

IUPAC2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CC(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-9(2,3)4-6(16)5-15-8(17)10(13,14)7(11)12/h6-7,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyDQIGGWPFVZLKDF-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.80
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide

2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (PubChem CID 103733867) has the molecular formula C10H17F4NO2 and a molecular weight of 259.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
PubChem CID103733867
Molecular FormulaC10H17F4NO2
Molecular Weight259.24 g/mol
Exact Mass259.12
IUPAC Name2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide
SMILESCC(C)(C)CC(O)CNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C10H17F4NO2/c1-9(2,3)4-6(16)5-15-8(17)10(13,14)7(11)12/h6-7,16H,4-5H2,1-3H3,(H,15,17)
InChIKeyDQIGGWPFVZLKDF-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-hydroxy-4,4-dimethylpentyl)pivalamide
CID 71787568
3,3,3-trifluoro-N-[(2S,3R)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
CID 59083593
3,3,3-trifluoro-N-[(2R,3S)-2-hydroxyhexan-3-yl]-2,2-dimethylpropanamide
CID 59083600
2,4-dihydroxy-3,3-dimethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)butanamide
CID 90147942
4,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 168158646
2,4,4-trifluoro-N-(4-hydroxypentyl)-3-methylbutanamide
CID 175403237
N-(2-cyclopropyl-2-hydroxyethyl)-3,3,3-trifluoropropanamide
CID 63294604
3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)propanamide
CID 66180903
4,4,4-trifluoro-N-(2-hydroxy-3-methylbutyl)butanamide
CID 75430504
4,4,4-trifluoro-N-[(2S)-2-hydroxy-3-methylbutyl]butanamide
CID 97236929
4,4,4-trifluoro-N-[(2R)-2-hydroxy-3-methylbutyl]butanamide
CID 97236930
3,3,3-trifluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-(trifluoromethyl)propanamide
CID 103310204

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide (CID 103733867) is 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is CC(C)(C)CC(O)CNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
The InChIKey is DQIGGWPFVZLKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F4NO2/c1-9(2,3)4-6(16)5-15-8(17)10(13,14)7(11)12/h6-7,16H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide?
2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide has a molecular weight of 259.24 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(2-hydroxy-4,4-dimethylpentyl)propanamide is sourced from PubChem (CID 103733867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).