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

C14H26FNO2 — CID 102115225

IUPAC(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H26FNO2/c1-4-16(5-2)13(18)14(3,15)12(17)11-9-7-6-8-10-11/h11-12,17H,4-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyWQOLCVYQWHGSNH-JSGCOSHPSA-N
MW259.36 g/mol
LogP2.52
Rot. Bonds5

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

(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide (PubChem CID 102115225) has the molecular formula C14H26FNO2 and a molecular weight of 259.36 g/mol. Its IUPAC name is (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide.

Molecular Properties

Compound Name(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
PubChem CID102115225
Molecular FormulaC14H26FNO2
Molecular Weight259.36 g/mol
Exact Mass259.19
IUPAC Name(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide
SMILESCCN(CC)C(=O)[C@@](C)(F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H26FNO2/c1-4-16(5-2)13(18)14(3,15)12(17)11-9-7-6-8-10-11/h11-12,17H,4-10H2,1-3H3/t12-,14-/m0/s1
InChIKeyWQOLCVYQWHGSNH-JSGCOSHPSA-N
XLogP2.52
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide?
The IUPAC name of (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide (CID 102115225) is (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide.
What is the SMILES notation for (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide?
The canonical SMILES for (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide is CCN(CC)C(=O)[C@@](C)(F)[C@@H](O)C1CCCCC1.
What is the InChIKey of (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide?
The InChIKey is WQOLCVYQWHGSNH-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H26FNO2/c1-4-16(5-2)13(18)14(3,15)12(17)11-9-7-6-8-10-11/h11-12,17H,4-10H2,1-3H3/t12-,14-/m0/s1.
What are the key properties of (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide?
(2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide has a molecular weight of 259.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-cyclohexyl-N,N-diethyl-2-fluoro-3-hydroxy-2-methylpropanamide is sourced from PubChem (CID 102115225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).