N-fluoro-2-hydroxyhexanamide

C6H12FNO2 — CID 174941191

IUPACN-fluoro-2-hydroxyhexanamide
SMILESCCCCC(O)C(=O)NF
InChIInChI=1S/C6H12FNO2/c1-2-3-4-5(9)6(10)8-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyQIWWNHXTRJAZCH-UHFFFAOYSA-N
MW149.16 g/mol
LogP0.54
Rot. Bonds4

About N-fluoro-2-hydroxyhexanamide

N-fluoro-2-hydroxyhexanamide (PubChem CID 174941191) has the molecular formula C6H12FNO2 and a molecular weight of 149.16 g/mol. Its IUPAC name is N-fluoro-2-hydroxyhexanamide.

Molecular Properties

Compound NameN-fluoro-2-hydroxyhexanamide
PubChem CID174941191
Molecular FormulaC6H12FNO2
Molecular Weight149.16 g/mol
Exact Mass149.09
IUPAC NameN-fluoro-2-hydroxyhexanamide
SMILESCCCCC(O)C(=O)NF
InChIInChI=1S/C6H12FNO2/c1-2-3-4-5(9)6(10)8-7/h5,9H,2-4H2,1H3,(H,8,10)
InChIKeyQIWWNHXTRJAZCH-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.16
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N-octadecan-2-ylpentadecanamide
CID 139787818
(2R)-2-hydroxyhexanoic acid
CID 6995511
carbonic acid;2-hydroxyhexanoic acid
CID 160541051
ethane;2-hydroxyhexanoic acid
CID 20976061
magnesium bis(2-hydroxyhexanoate)
CID 139844837
S-(2-hydroxyhexanoyl) 2-hydroxyhexanethioate
CID 142742041
2-hydroxy-N-(2-hydroxyacetyl)icosanamide
CID 141107513
2-hydroxyheptanoic acid
CID 2750949
2-methyl-N-propan-2-ylhexanamide
CID 19752015
methyl (2S)-2-hydroxyheptanoate
CID 71444954
2-hydroxy-N-(4-hydroxynonadecan-3-yl)tetradecanamide
CID 58241414
2-hydroxy-N-(4-hydroxy-14-methylhenicosan-3-yl)hexadecanamide
CID 143093241

Frequently Asked Questions

What is the IUPAC name of N-fluoro-2-hydroxyhexanamide?
The IUPAC name of N-fluoro-2-hydroxyhexanamide (CID 174941191) is N-fluoro-2-hydroxyhexanamide.
What is the SMILES notation for N-fluoro-2-hydroxyhexanamide?
The canonical SMILES for N-fluoro-2-hydroxyhexanamide is CCCCC(O)C(=O)NF.
What is the InChIKey of N-fluoro-2-hydroxyhexanamide?
The InChIKey is QIWWNHXTRJAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2/c1-2-3-4-5(9)6(10)8-7/h5,9H,2-4H2,1H3,(H,8,10).
What are the key properties of N-fluoro-2-hydroxyhexanamide?
N-fluoro-2-hydroxyhexanamide has a molecular weight of 149.16 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-2-hydroxyhexanamide is sourced from PubChem (CID 174941191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).