(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide

C12H18FNO3 — CID 10955771

IUPAC(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(F)[C@@H](O)c1ccco1
InChIInChI=1S/C12H18FNO3/c1-4-14(5-2)11(16)12(3,13)10(15)9-7-6-8-17-9/h6-8,10,15H,4-5H2,1-3H3/t10-,12-/m0/s1
InChIKeyZKDYWAIHXISRKN-JQWIXIFHSA-N
MW243.28 g/mol
LogP1.91
Rot. Bonds5

About (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide

(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide (PubChem CID 10955771) has the molecular formula C12H18FNO3 and a molecular weight of 243.28 g/mol. Its IUPAC name is (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
PubChem CID10955771
Molecular FormulaC12H18FNO3
Molecular Weight243.28 g/mol
Exact Mass243.13
IUPAC Name(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(F)[C@@H](O)c1ccco1
InChIInChI=1S/C12H18FNO3/c1-4-14(5-2)11(16)12(3,13)10(15)9-7-6-8-17-9/h6-8,10,15H,4-5H2,1-3H3/t10-,12-/m0/s1
InChIKeyZKDYWAIHXISRKN-JQWIXIFHSA-N
XLogP1.91
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
CID 70229752
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
CID 102115212
2,2-difluoro-1,3-bis(furan-2-yl)propane-1,3-diol
CID 10105858
(1S)-2,2,2-trifluoro-1-(furan-2-yl)ethanol
CID 7171782
2-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
N,N-diethyl-N'-(furan-2-ylmethyl)-2,2-dimethylpropanediamide
CID 108961366
N-ethyl-N-(furan-2-ylmethyl)-2-hydroxy-2-methylpropanamide
CID 103429605
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
4-amino-N,N-diethyl-2-(furan-2-yl)butanamide
CID 112515361
1-(furan-2-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 130589665
1-(furan-2-yl)-2-methyl-2-nitropropan-1-ol
CID 12946482

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide?
The IUPAC name of (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide (CID 10955771) is (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide is CCN(CC)C(=O)[C@@](C)(F)[C@@H](O)c1ccco1.
What is the InChIKey of (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide?
The InChIKey is ZKDYWAIHXISRKN-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H18FNO3/c1-4-14(5-2)11(16)12(3,13)10(15)9-7-6-8-17-9/h6-8,10,15H,4-5H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide?
(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide has a molecular weight of 243.28 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 10955771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).