N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide

C9H14FNO2 — CID 130650583

IUPACN-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide
SMILESO=C(C=C1CCOCC1)NCCF
InChIInChI=1S/C9H14FNO2/c10-3-4-11-9(12)7-8-1-5-13-6-2-8/h7H,1-6H2,(H,11,12)
InChIKeySCAGKFHHLHLJJE-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.81
Rot. Bonds3

About N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide

N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide (PubChem CID 130650583) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide
PubChem CID130650583
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC NameN-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide
SMILESO=C(C=C1CCOCC1)NCCF
InChIInChI=1S/C9H14FNO2/c10-3-4-11-9(12)7-8-1-5-13-6-2-8/h7H,1-6H2,(H,11,12)
InChIKeySCAGKFHHLHLJJE-UHFFFAOYSA-N
XLogP0.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-cyclohexylideneacetyl)amino]butanoic acid
CID 115729612
(E)-4-(2-fluoroethylamino)-4-oxobut-2-enoic acid
CID 130160499
2-cyano-N-[2-[(2-cyclohexylideneacetyl)amino]ethyl]acetamide
CID 108921914
2-fluoren-9-ylidene-N-(2-morpholin-4-ylethyl)acetamide
CID 58938044
2-cyano-N-[[3-[[2-(oxan-4-ylidene)acetyl]amino]phenyl]methyl]acetamide
CID 108924220
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
1-[[3-(aminomethyl)phenyl]methyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913190
1-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-3-(oxan-4-ylidenemethyl)urea
CID 108913360
2-(1,3-dioxolan-2-yl)-N-(2-fluoroethyl)acetamide
CID 130684184
1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913130
3-fluoro-N-(2-fluoroethyl)oxolane-3-carboxamide
CID 131153682
N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-(4-methylcyclohexylidene)acetamide
CID 86952712

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide?
The IUPAC name of N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide (CID 130650583) is N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide.
What is the SMILES notation for N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide?
The canonical SMILES for N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide is O=C(C=C1CCOCC1)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide?
The InChIKey is SCAGKFHHLHLJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c10-3-4-11-9(12)7-8-1-5-13-6-2-8/h7H,1-6H2,(H,11,12).
What are the key properties of N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide?
N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide has a molecular weight of 187.21 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2-(oxan-4-ylidene)acetamide is sourced from PubChem (CID 130650583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).