(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide

C15H30FNO2 — CID 11011232

IUPAC(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
SMILESCCCCCCC[C@H](O)[C@](C)(F)C(=O)N(CC)CC
InChIInChI=1S/C15H30FNO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyNZOLXZUQMSDPFN-ZFWWWQNUSA-N
MW275.41 g/mol
LogP3.30
Rot. Bonds10

About (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide

(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide (PubChem CID 11011232) has the molecular formula C15H30FNO2 and a molecular weight of 275.41 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
PubChem CID11011232
Molecular FormulaC15H30FNO2
Molecular Weight275.41 g/mol
Exact Mass275.23
IUPAC Name(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
SMILESCCCCCCC[C@H](O)[C@](C)(F)C(=O)N(CC)CC
InChIInChI=1S/C15H30FNO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1
InChIKeyNZOLXZUQMSDPFN-ZFWWWQNUSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 53.30
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

1-(3-Hydroxy-2-methyldecanoyl)pyrrolidin-2-one
CID 10683430
N,N-diethyl-1-(1-hydroxybutyl)cyclohexane-1-carboxamide
CID 86128162
(2S)-2-[[[(2R,3R)-3-hydroxy-2-(2,2,2-trifluoroethyl)nonanoyl]-methylamino]methyl]-4-methylpentanoic acid
CID 175339697
N-(2-fluoro-2-methylpropyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 175786316
N-(3-fluoro-3-methylbutyl)-2-(1-hydroxycyclohexyl)-N-methylacetamide
CID 175987888
3-Hydroxy-decanoic acid, pyrrolidide
CID 91717714
(2S,3S)-N,N-diethyl-3-hydroxy-2-iodo-2-methyldecanamide
CID 134934560
2,2-Difluoro-3-hydroxy-1-pyrrolidin-1-yloctan-1-one
CID 86073349
3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
CID 101245425
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide
CID 102115221
(2R,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
CID 102115224
(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
CID 102115225

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide?
The IUPAC name of (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide (CID 11011232) is (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide is CCCCCCC[C@H](O)[C@](C)(F)C(=O)N(CC)CC.
What is the InChIKey of (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide?
The InChIKey is NZOLXZUQMSDPFN-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H30FNO2/c1-5-8-9-10-11-12-13(18)15(4,16)14(19)17(6-2)7-3/h13,18H,5-12H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide?
(2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide has a molecular weight of 275.41 g/mol, XLogP of 3.30, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyldecanamide is sourced from PubChem (CID 11011232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).