2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide

C9H15F4NO2 — CID 103862024

IUPAC2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-6(5-15)3-2-4-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16)
InChIKeyGFCVHCAVLCOBPC-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.41
Rot. Bonds7

About 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide

2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide (PubChem CID 103862024) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide
PubChem CID103862024
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Name2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide
SMILESCC(CO)CCCNC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-6(5-15)3-2-4-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16)
InChIKeyGFCVHCAVLCOBPC-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-Hydroxypentyl)trifluoroacetamide
CID 4459265
2,2,2-trifluoro-N-[5-hydroxy-4-(hydroxymethyl)pentyl]acetamide
CID 57039387
2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 61246688
(R)-2,2,2-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)acetamide
CID 86622344
2,2,2-trifluoro-N-(5-hydroxy-2-methylpentyl)acetamide
CID 87580737
2,2,2-trifluoro-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]acetamide
CID 87841020
N-[5,5,5-trifluoro-4-(hydroxymethyl)pentyl]acetamide
CID 88125185
3,3,3-trifluoro-N-(1-hydroxy-4-methylpentan-2-yl)propanamide
CID 61247486
3,3,3-trifluoro-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66106455
5-hydroxy-N-(3,3,3-trifluoropropyl)pentanamide
CID 79208548
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 80308123
N-(2-ethyl-4-hydroxybutyl)-4,4,4-trifluorobutanamide
CID 80308442

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide (CID 103862024) is 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide is CC(CO)CCCNC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide?
The InChIKey is GFCVHCAVLCOBPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-6(5-15)3-2-4-14-8(16)9(12,13)7(10)11/h6-7,15H,2-5H2,1H3,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide?
2,2,3,3-tetrafluoro-N-(5-hydroxy-4-methylpentyl)propanamide has a molecular weight of 245.22 g/mol, XLogP of 1.41, 7 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-(5-hydroxy-4-methylpentyl)propanamide is sourced from PubChem (CID 103862024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).