(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide

C11H15F2NO3 — CID 70229752

IUPAC(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
SMILESCCN(CC)C(=O)C(F)(F)[C@@H](O)c1ccco1
InChIInChI=1S/C11H15F2NO3/c1-3-14(4-2)10(16)11(12,13)9(15)8-6-5-7-17-8/h5-7,9,15H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyIACZTXFBQUSOQU-VIFPVBQESA-N
MW247.24 g/mol
LogP1.82
Rot. Bonds5

About (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide

(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide (PubChem CID 70229752) has the molecular formula C11H15F2NO3 and a molecular weight of 247.24 g/mol. Its IUPAC name is (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
PubChem CID70229752
Molecular FormulaC11H15F2NO3
Molecular Weight247.24 g/mol
Exact Mass247.10
IUPAC Name(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide
SMILESCCN(CC)C(=O)C(F)(F)[C@@H](O)c1ccco1
InChIInChI=1S/C11H15F2NO3/c1-3-14(4-2)10(16)11(12,13)9(15)8-6-5-7-17-8/h5-7,9,15H,3-4H2,1-2H3/t9-/m0/s1
InChIKeyIACZTXFBQUSOQU-VIFPVBQESA-N
XLogP1.82
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-N,N-diethyl-2-fluoro-3-(furan-2-yl)-3-hydroxy-2-methylpropanamide
CID 10955771
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
N,N-diethyl-2-[1-(furan-2-yl)ethylamino]acetamide
CID 43401823
4-amino-N,N-diethyl-2-(furan-2-yl)butanamide
CID 112515361
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-(aminomethyl)-1-(furan-2-yl)-2-methylbutan-1-ol
CID 79135708
2,2,2-trichloro-1-(furan-2-yl)ethanol
CID 11356360
3-(furan-2-yl)pentane-2,4-dione
CID 12548240
2-cyano-N-ethyl-N-(furan-2-ylmethyl)-2-methylpropanamide
CID 55150729
(2R,3S)-N,N-diethyl-2-fluoro-3-hydroxy-2-methyl-3-naphthalen-2-ylpropanamide
CID 102115212

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide?
The IUPAC name of (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide (CID 70229752) is (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide.
What is the SMILES notation for (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide?
The canonical SMILES for (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide is CCN(CC)C(=O)C(F)(F)[C@@H](O)c1ccco1.
What is the InChIKey of (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide?
The InChIKey is IACZTXFBQUSOQU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15F2NO3/c1-3-14(4-2)10(16)11(12,13)9(15)8-6-5-7-17-8/h5-7,9,15H,3-4H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide?
(3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide has a molecular weight of 247.24 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-diethyl-2,2-difluoro-3-(furan-2-yl)-3-hydroxypropanamide is sourced from PubChem (CID 70229752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).