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

C9H10FNO — CID 139765773

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

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

2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 139765773) has the molecular formula C9H10FNO and a molecular weight of 167.18 g/mol. Its IUPAC name is 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
PubChem CID139765773
Molecular FormulaC9H10FNO
Molecular Weight167.18 g/mol
Exact Mass167.07
IUPAC Name2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide
SMILESC=C1C=C(F)C=CC1CC(N)=O
InChIInChI=1S/C9H10FNO/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4,7H,1,5H2,(H2,11,12)
InChIKeyVKWNGAXOJSJHKG-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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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide (CID 139765773) is 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide is C=C1C=C(F)C=CC1CC(N)=O.
What is the InChIKey of 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is VKWNGAXOJSJHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO/c1-6-4-8(10)3-2-7(6)5-9(11)12/h2-4,7H,1,5H2,(H2,11,12).
What are the key properties of 2-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide?
2-(4-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-(4-fluoro-6-methylidenecyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 139765773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).