2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide

C8H10FNO — CID 89139371

IUPAC2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
SMILESNC(=O)CC1=CC=C(F)CC1
InChIInChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1,3H,2,4-5H2,(H2,10,11)
InChIKeyGOXCWRXEBPNKHU-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.44
Rot. Bonds2

About 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide

2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 89139371) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
PubChem CID89139371
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
SMILESNC(=O)CC1=CC=C(F)CC1
InChIInChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1,3H,2,4-5H2,(H2,10,11)
InChIKeyGOXCWRXEBPNKHU-UHFFFAOYSA-N
XLogP1.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide (CID 89139371) is 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide is NC(=O)CC1=CC=C(F)CC1.
What is the InChIKey of 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is GOXCWRXEBPNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c9-7-3-1-6(2-4-7)5-8(10)11/h1,3H,2,4-5H2,(H2,10,11).
What are the key properties of 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 155.17 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 89139371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).