2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide

C10H18FNO2 — CID 109479082

IUPAC2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide
SMILESCCC(CCO)NC(=O)C(F)=C(C)C
InChIInChI=1S/C10H18FNO2/c1-4-8(5-6-13)12-10(14)9(11)7(2)3/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyIRCJEUUCGVKSLC-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.53
Rot. Bonds5

About 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide

2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide (PubChem CID 109479082) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide
PubChem CID109479082
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Name2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide
SMILESCCC(CCO)NC(=O)C(F)=C(C)C
InChIInChI=1S/C10H18FNO2/c1-4-8(5-6-13)12-10(14)9(11)7(2)3/h8,13H,4-6H2,1-3H3,(H,12,14)
InChIKeyIRCJEUUCGVKSLC-UHFFFAOYSA-N
XLogP1.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-methyl-N-(oxan-4-yl)but-2-enamide
CID 123448044
N-(1-cyclopropyl-3-hydroxypropyl)-2-fluoro-3-methylbut-2-enamide
CID 109617887
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-2-yl)-3-methylbut-2-enamide
CID 109943880
2-fluoro-N-(5-hydroxypentan-2-yl)-3-methylbut-2-enamide
CID 112309254
2-fluoro-N-(1-hydroxy-4-methylpentan-3-yl)-3-methylbut-2-enamide
CID 112320347
2-fluoro-N-(4-hydroxy-2-methylbutyl)-3-methylbut-2-enamide
CID 112362277
2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide
CID 130667850
N-(1-hydroxypropan-2-yl)-2,3-dimethylbut-2-enamide
CID 130679388
N-(1-hydroxypentan-3-yl)-2-methylprop-2-enamide
CID 140107208
3-hydroxy-N-(1-hydroxypentan-3-yl)but-2-enamide
CID 173729458
N-(3-hydroxypropyl)-2,3-dimethylbut-2-enamide
CID 176894502
N-(5-hydroxypentan-2-yl)-3-methylbut-2-enamide
CID 80292110

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide?
The IUPAC name of 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide (CID 109479082) is 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide.
What is the SMILES notation for 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide?
The canonical SMILES for 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide is CCC(CCO)NC(=O)C(F)=C(C)C.
What is the InChIKey of 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide?
The InChIKey is IRCJEUUCGVKSLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-8(5-6-13)12-10(14)9(11)7(2)3/h8,13H,4-6H2,1-3H3,(H,12,14).
What are the key properties of 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide?
2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide has a molecular weight of 203.26 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(1-hydroxypentan-3-yl)-3-methylbut-2-enamide is sourced from PubChem (CID 109479082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).