2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide

C9H10FNO — CID 139765755

IUPAC2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
SMILESC=C1C(F)=CC=CC1CC(N)=O
InChIInChI=1S/C9H10FNO/c1-6-7(5-9(11)12)3-2-4-8(6)10/h2-4,7H,1,5H2,(H2,11,12)
InChIKeyWOSGRRJLNVGEKX-UHFFFAOYSA-N
MW167.18 g/mol
LogP1.46
Rot. Bonds2

About 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide

2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 139765755) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
PubChem CID139765755
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
SMILESC=C1C(F)=CC=CC1CC(N)=O
InChIInChI=1S/C9H10FNO/c1-6-7(5-9(11)12)3-2-4-8(6)10/h2-4,7H,1,5H2,(H2,11,12)
InChIKeyWOSGRRJLNVGEKX-UHFFFAOYSA-N
XLogP1.46
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Cyclopropyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66666374
6-(Cyanomethyl)-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 66751824
6-Cyclopropyl-4,6-difluorocyclohexa-2,4-diene-1-carboxamide
CID 68949408
6-Fluoro-6-methylcyclohexa-2,4-diene-1-carboxamide
CID 69241906
6-Ethyl-6-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
CID 69543217
6-Ethyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 69708078
2-(6,6-Difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 70416183
2-(4-Fluorocyclohexa-1,3-dien-1-yl)acetamide
CID 89139371
6-Fluoro-4-methylcyclohex-3-ene-1-carboxamide
CID 89642575
4-Fluoro-3,6-dimethylcyclohexa-1,3-diene-1-carboxamide
CID 91584128
6-Tert-butyl-6-fluorocyclohexa-2,4-diene-1-carboxamide
CID 122604237
(4E,6E)-7-fluoro-4-methylnona-4,6-dienamide
CID 126690279

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide (CID 139765755) is 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide is C=C1C(F)=CC=CC1CC(N)=O.
What is the InChIKey of 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is WOSGRRJLNVGEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-7(5-9(11)12)3-2-4-8(6)10/h2-4,7H,1,5H2,(H2,11,12).
What are the key properties of 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 167.18 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 139765755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).