2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide

C24H47F2NO2 — CID 102373407

IUPAC2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide
SMILESCCCCCCCC(O)C(F)(F)C(=O)N(CCCCCCC)CCCCCCC
InChIInChI=1S/C24H47F2NO2/c1-4-7-10-13-16-19-22(28)24(25,26)23(29)27(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h22,28H,4-21H2,1-3H3
InChIKeyHPODLTHHEQIDJQ-UHFFFAOYSA-N
MW419.64 g/mol
LogP7.11
Rot. Bonds20

About 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide

2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide (PubChem CID 102373407) has the molecular formula C24H47F2NO2 and a molecular weight of 419.64 g/mol. Its IUPAC name is 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide.

Molecular Properties

Compound Name2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide
PubChem CID102373407
Molecular FormulaC24H47F2NO2
Molecular Weight419.64 g/mol
Exact Mass419.36
IUPAC Name2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide
SMILESCCCCCCCC(O)C(F)(F)C(=O)N(CCCCCCC)CCCCCCC
InChIInChI=1S/C24H47F2NO2/c1-4-7-10-13-16-19-22(28)24(25,26)23(29)27(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h22,28H,4-21H2,1-3H3
InChIKeyHPODLTHHEQIDJQ-UHFFFAOYSA-N
XLogP7.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.64
LogP ≤ 57.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-Dibutyl-12-hydroxyoctadecan-1-amide
CID 85969
7-[4-Hydroxynonyl-(2,2,2-trifluoroacetyl)amino]heptanoic acid
CID 21503924
7-[Acetyl-(9,9,9-trifluoro-4-hydroxynonyl)amino]heptanoic acid
CID 21503970
N-(6-hydroxyhexyl)-N-methyl-7-(trifluoromethoxy)heptanamide
CID 58012542
N-(8-hydroxyoctyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
CID 58012545
N-(6-hydroxyhexyl)-N-methyl-7-(3,3,3-trifluoropropoxy)heptanamide
CID 58012546
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N,N-bis(6-hydroxyhexyl)octanamide
CID 87965068
7-[(2,2-Difluoro-6-hydroxyundecanoyl)-fluoroamino]heptanoic acid
CID 88833102
N-(5,6-dihydroxyheptyl)-N-ethyl-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
CID 143070590
(2S)-2-[[[(2R,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)nonanoyl]-methylamino]methyl]-4-methylpentanoic acid
CID 175339697
3-Hydroxy-decanoic acid, pyrrolidide
CID 91717714
(2R,3S)-3-hydroxy-2-iodo-N,N-di(propan-2-yl)decanamide
CID 134934756

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide?
The IUPAC name of 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide (CID 102373407) is 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide.
What is the SMILES notation for 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide?
The canonical SMILES for 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide is CCCCCCCC(O)C(F)(F)C(=O)N(CCCCCCC)CCCCCCC.
What is the InChIKey of 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide?
The InChIKey is HPODLTHHEQIDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47F2NO2/c1-4-7-10-13-16-19-22(28)24(25,26)23(29)27(20-17-14-11-8-5-2)21-18-15-12-9-6-3/h22,28H,4-21H2,1-3H3.
What are the key properties of 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide?
2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide has a molecular weight of 419.64 g/mol, XLogP of 7.11, 20 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N,N-diheptyl-3-hydroxydecanamide is sourced from PubChem (CID 102373407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).