N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide

C9H8FNO — CID 59850017

IUPACN-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
SMILESC=C1C=C/C(=N\C(C)=O)C(F)=C1
InChIInChI=1S/C9H8FNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1H2,2H3/b11-9+
InChIKeyQWORESCEAPYPDD-PKNBQFBNSA-N
MW165.17 g/mol
LogP1.95
Rot. Bonds

About N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide

N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide (PubChem CID 59850017) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide.

Molecular Properties

Compound NameN-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
PubChem CID59850017
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC NameN-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide
SMILESC=C1C=C/C(=N\C(C)=O)C(F)=C1
InChIInChI=1S/C9H8FNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1H2,2H3/b11-9+
InChIKeyQWORESCEAPYPDD-PKNBQFBNSA-N
XLogP1.95
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3,4-Dihydro-8-fluoro-7-methyl-2-oxo-1-benzazepine
CID 22101951
Acetyl-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 59850016
3-fluoro-3H-quinolin-2-one
CID 119086068
2,2,2-trifluoro-N-(6-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 175713856
N-[6-(oxomethylidene)cyclohexa-2,4-dien-1-ylidene]acetamide
CID 134893326
(6-Tert-butyliminocyclohexa-2,4-dien-1-ylidene)methanone
CID 134893458
3-fluoro-4-methylquinolin-2(3H)-one
CID 71650944
(3R)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032449
(3S)-3-fluoro-4-methyl-3H-quinolin-2-one
CID 97032450
N-(4-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 12504459
N-(5-methylcyclohexa-2,4-dien-1-ylidene)acetamide
CID 90448187
(4-Methylcyclohexa-2,4-dien-1-ylidene)-(oxomethylidene)azanium
CID 163439372

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide?
The IUPAC name of N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide (CID 59850017) is N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide.
What is the SMILES notation for N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide?
The canonical SMILES for N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide is C=C1C=C/C(=N\C(C)=O)C(F)=C1.
What is the InChIKey of N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide?
The InChIKey is QWORESCEAPYPDD-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6-3-4-9(8(10)5-6)11-7(2)12/h3-5H,1H2,2H3/b11-9+.
What are the key properties of N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide?
N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide has a molecular weight of 165.17 g/mol, XLogP of 1.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-methylidenecyclohexa-2,5-dien-1-ylidene)acetamide is sourced from PubChem (CID 59850017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).