2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

C9H15F4NO2 — CID 103782269

IUPAC2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-5(2)6(3-4-15)14-8(16)9(12,13)7(10)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyVBMHEEIMKGFMIA-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.41
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide

2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (PubChem CID 103782269) has the molecular formula C9H15F4NO2 and a molecular weight of 245.22 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
PubChem CID103782269
Molecular FormulaC9H15F4NO2
Molecular Weight245.22 g/mol
Exact Mass245.10
IUPAC Name2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
SMILESCC(C)C(CCO)NC(=O)C(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO2/c1-5(2)6(3-4-15)14-8(16)9(12,13)7(10)11/h5-7,15H,3-4H2,1-2H3,(H,14,16)
InChIKeyVBMHEEIMKGFMIA-UHFFFAOYSA-N
XLogP1.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N-(2-methylpentan-3-yl)propanamide
CID 103733242
N-(1-hydroxy-4-methylpentan-3-yl)-2-sulfanylacetamide
CID 106357968
4-amino-N-(1-hydroxy-4-methylpentan-3-yl)-4-methylpentanamide
CID 103810722
N-(1,3-dihydroxypropan-2-yl)-2,2,3,3-tetrafluoropropanamide
CID 104580731
2,2,3,3-tetrafluoro-N-(4,4,4-trifluorobutan-2-yl)propanamide
CID 104855040
2,2,3,3-tetrafluoro-N-(1-hydroxybutan-2-yl)propanamide
CID 103944341
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]propanamide
CID 105342996
2-cyano-N-(1-hydroxy-4-methylpentan-3-yl)-2-methylbutanamide
CID 106350117
2,2,3,3-tetrafluoro-N-octan-2-ylpropanamide
CID 103732426
N-(1-hydroxy-4-methylpentan-3-yl)-2-methyl-2-piperazin-1-ylpropanamide
CID 103810737
2-chloro-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103881700
(2R)-2-amino-N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutanamide
CID 106349815

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide (CID 103782269) is 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide is CC(C)C(CCO)NC(=O)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
The InChIKey is VBMHEEIMKGFMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO2/c1-5(2)6(3-4-15)14-8(16)9(12,13)7(10)11/h5-7,15H,3-4H2,1-2H3,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide?
2,2,3,3-tetrafluoro-N-(1-hydroxy-4-methylpentan-3-yl)propanamide has a molecular weight of 245.22 g/mol, XLogP of 1.41, 6 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-(1-hydroxy-4-methylpentan-3-yl)propanamide is sourced from PubChem (CID 103782269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).