2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide

C8H14FNO3 — CID 59087787

IUPAC2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CF)[C@H](O)C(C)=O
InChIInChI=1S/C8H14FNO3/c1-3-6(8(13)5(2)11)10-7(12)4-9/h6,8,13H,3-4H2,1-2H3,(H,10,12)/t6-,8+/m0/s1
InChIKeyXRPGWAFLFPRIEK-POYBYMJQSA-N
MW191.20 g/mol
LogP-0.20
Rot. Bonds5

About 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide

2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide (PubChem CID 59087787) has the molecular formula C8H14FNO3 and a molecular weight of 191.20 g/mol. Its IUPAC name is 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide
PubChem CID59087787
Molecular FormulaC8H14FNO3
Molecular Weight191.20 g/mol
Exact Mass191.10
IUPAC Name2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide
SMILESCC[C@H](NC(=O)CF)[C@H](O)C(C)=O
InChIInChI=1S/C8H14FNO3/c1-3-6(8(13)5(2)11)10-7(12)4-9/h6,8,13H,3-4H2,1-2H3,(H,10,12)/t6-,8+/m0/s1
InChIKeyXRPGWAFLFPRIEK-POYBYMJQSA-N
XLogP-0.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide?
The IUPAC name of 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide (CID 59087787) is 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide.
What is the SMILES notation for 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide?
The canonical SMILES for 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide is CC[C@H](NC(=O)CF)[C@H](O)C(C)=O.
What is the InChIKey of 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide?
The InChIKey is XRPGWAFLFPRIEK-POYBYMJQSA-N. The full InChI is InChI=1S/C8H14FNO3/c1-3-6(8(13)5(2)11)10-7(12)4-9/h6,8,13H,3-4H2,1-2H3,(H,10,12)/t6-,8+/m0/s1.
What are the key properties of 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide?
2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide has a molecular weight of 191.20 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3S,4S)-4-hydroxy-5-oxohexan-3-yl]acetamide is sourced from PubChem (CID 59087787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).