N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide

C11H21F2NO2 — CID 104857932

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H21F2NO2/c1-3-5-6-9(4-2)10(16)14-7-11(12,13)8-15/h9,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyQLCIHDIIAHLLHW-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.95
Rot. Bonds8

About N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide

N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide (PubChem CID 104857932) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide
PubChem CID104857932
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide
SMILESCCCCC(CC)C(=O)NCC(F)(F)CO
InChIInChI=1S/C11H21F2NO2/c1-3-5-6-9(4-2)10(16)14-7-11(12,13)8-15/h9,15H,3-8H2,1-2H3,(H,14,16)
InChIKeyQLCIHDIIAHLLHW-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-hydroxypropyl)cyclohexanecarboxamide
CID 24285039
4-cyclohexyl-N-(3-hydroxypropyl)butanamide
CID 43390100
2-cyclohexyl-N-(3-hydroxypropyl)acetamide
CID 43390121
4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
3,3-difluoro-N-[(2S)-2-hydroxypropyl]cyclohexane-1-carboxamide
CID 126787139
Valeramide, N-(2-hydroxyethyl)-2-propyl-
CID 3014173
2-Ethyl-N-(2-hydroxyethyl)hexanamide
CID 3028556
4,4-difluoro-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932133
4,4-difluoro-N-(2-hydroxypropyl)cyclohexane-1-carboxamide
CID 81932209
(4S)-N-ethyl-2,2-difluoro-3-hydroxy-4-methylheptanamide
CID 87104000
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-5-(hydroxymethyl)hexyl]octanamide
CID 87965865
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-[6-hydroxy-4-(2-hydroxyethyl)hexyl]octanamide
CID 87965965

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide (CID 104857932) is N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide is CCCCC(CC)C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide?
The InChIKey is QLCIHDIIAHLLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-5-6-9(4-2)10(16)14-7-11(12,13)8-15/h9,15H,3-8H2,1-2H3,(H,14,16).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-ethylhexanamide has a molecular weight of 237.29 g/mol, XLogP of 1.95, 8 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)-2-ethylhexanamide is sourced from PubChem (CID 104857932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).