N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide

C11H21F2NO2 — CID 104857124

IUPACN-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(F)(F)CO)C(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-8(10(2,3)4)5-9(16)14-6-11(12,13)7-15/h8,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyWCTAAVHGJAXDMO-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.80
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide

N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide (PubChem CID 104857124) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide
PubChem CID104857124
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide
SMILESCC(CC(=O)NCC(F)(F)CO)C(C)(C)C
InChIInChI=1S/C11H21F2NO2/c1-8(10(2,3)4)5-9(16)14-6-11(12,13)7-15/h8,15H,5-7H2,1-4H3,(H,14,16)
InChIKeyWCTAAVHGJAXDMO-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
2-tert-butyl-N-(2,2-difluoroethyl)-4,4-dimethylpentanamide
CID 155053224
2-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 155053282
5,5,5-trifluoro-N-(4-hydroxypentyl)-3-methylpentanamide
CID 168158668
4-(2-aminoethyl)-N-(2-hydroxyethyl)-5,5-dimethyl-N-(2,2,2-trifluoroethyl)hexanamide
CID 64359203
N-(3-hydroxy-2,2-dimethylpropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81646135
4,4,4-trifluoro-N-(3-hydroxy-2,2-dimethylpropyl)butanamide
CID 81646899
N-(3-hydroxy-2,2-dimethylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932831
4,4-difluoro-N-(3-hydroxy-2,2-dimethylpropyl)cyclohexane-1-carboxamide
CID 81932832
N-(3-hydroxy-2-methylpropyl)-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 81932919
4,4-difluoro-N-(3-hydroxy-2-methylpropyl)cyclohexane-1-carboxamide
CID 81932920
N-(2,2-difluoro-3-hydroxypropyl)-3-methylpentanamide
CID 103526983

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide (CID 104857124) is N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide is CC(CC(=O)NCC(F)(F)CO)C(C)(C)C.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide?
The InChIKey is WCTAAVHGJAXDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-8(10(2,3)4)5-9(16)14-6-11(12,13)7-15/h8,15H,5-7H2,1-4H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide?
N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide has a molecular weight of 237.29 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 N-(2,2-difluoro-3-hydroxypropyl)-3,4,4-trimethylpentanamide is sourced from PubChem (CID 104857124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).