N-(2-fluoro-3-hydroxybutyl)acetamide

C6H12FNO2 — CID 169215002

IUPACN-(2-fluoro-3-hydroxybutyl)acetamide
SMILESCC(=O)NCC(F)C(C)O
InChIInChI=1S/C6H12FNO2/c1-4(9)6(7)3-8-5(2)10/h4,6,9H,3H2,1-2H3,(H,8,10)
InChIKeyVEHXBURTZDAJJY-UHFFFAOYSA-N
MW149.16 g/mol
LogP-0.16
Rot. Bonds3

About N-(2-fluoro-3-hydroxybutyl)acetamide

N-(2-fluoro-3-hydroxybutyl)acetamide (PubChem CID 169215002) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-(2-fluoro-3-hydroxybutyl)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-3-hydroxybutyl)acetamide
PubChem CID169215002
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC NameN-(2-fluoro-3-hydroxybutyl)acetamide
SMILESCC(=O)NCC(F)C(C)O
InChIInChI=1S/C6H12FNO2/c1-4(9)6(7)3-8-5(2)10/h4,6,9H,3H2,1-2H3,(H,8,10)
InChIKeyVEHXBURTZDAJJY-UHFFFAOYSA-N
XLogP-0.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-3-hydroxybutyl)acetamide?
The IUPAC name of N-(2-fluoro-3-hydroxybutyl)acetamide (CID 169215002) is N-(2-fluoro-3-hydroxybutyl)acetamide.
What is the SMILES notation for N-(2-fluoro-3-hydroxybutyl)acetamide?
The canonical SMILES for N-(2-fluoro-3-hydroxybutyl)acetamide is CC(=O)NCC(F)C(C)O.
What is the InChIKey of N-(2-fluoro-3-hydroxybutyl)acetamide?
The InChIKey is VEHXBURTZDAJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-4(9)6(7)3-8-5(2)10/h4,6,9H,3H2,1-2H3,(H,8,10).
What are the key properties of N-(2-fluoro-3-hydroxybutyl)acetamide?
N-(2-fluoro-3-hydroxybutyl)acetamide has a molecular weight of 149.16 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-3-hydroxybutyl)acetamide is sourced from PubChem (CID 169215002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).