N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide

C14H28FNO2 — CID 10825326

IUPACN-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](F)[C@H](CO)NC(C)=O
InChIInChI=1S/C14H28FNO2/c1-3-4-5-6-7-8-9-10-13(15)14(11-17)16-12(2)18/h13-14,17H,3-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyNPQLZBHGHYIIAJ-KBPBESRZSA-N
MW261.38 g/mol
LogP2.96
Rot. Bonds11

About N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide

N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide (PubChem CID 10825326) has the molecular formula C14H28FNO2 and a molecular weight of 261.38 g/mol. Its IUPAC name is N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide
PubChem CID10825326
Molecular FormulaC14H28FNO2
Molecular Weight261.38 g/mol
Exact Mass261.21
IUPAC NameN-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide
SMILESCCCCCCCCC[C@H](F)[C@H](CO)NC(C)=O
InChIInChI=1S/C14H28FNO2/c1-3-4-5-6-7-8-9-10-13(15)14(11-17)16-12(2)18/h13-14,17H,3-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1
InChIKeyNPQLZBHGHYIIAJ-KBPBESRZSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide?
The IUPAC name of N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide (CID 10825326) is N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide.
What is the SMILES notation for N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide?
The canonical SMILES for N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide is CCCCCCCCC[C@H](F)[C@H](CO)NC(C)=O.
What is the InChIKey of N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide?
The InChIKey is NPQLZBHGHYIIAJ-KBPBESRZSA-N. The full InChI is InChI=1S/C14H28FNO2/c1-3-4-5-6-7-8-9-10-13(15)14(11-17)16-12(2)18/h13-14,17H,3-11H2,1-2H3,(H,16,18)/t13-,14-/m0/s1.
What are the key properties of N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide?
N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide has a molecular weight of 261.38 g/mol, XLogP of 2.96, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3S)-3-fluoro-1-hydroxydodecan-2-yl]acetamide is sourced from PubChem (CID 10825326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).