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

C8H10FNO — CID 143299281

IUPACN-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=C(F)CC1
InChIInChI=1S/C8H10FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyMRTNMUPMTRPMFD-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.65
Rot. Bonds1

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

N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 143299281) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
PubChem CID143299281
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC NameN-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide
SMILESCC(=O)NC1=CC=C(F)CC1
InChIInChI=1S/C8H10FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2,4H,3,5H2,1H3,(H,10,11)
InChIKeyMRTNMUPMTRPMFD-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82550
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N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
4-fluoro-6-propan-2-yl-1H-pyridin-2-one
CID 89973677
5-fluoro-6-methylidene-3-propan-2-yl-3H-pyridin-2-one
CID 118446180
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
N-[6-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126661691
N-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]acetamide
CID 126663639
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide (CID 143299281) is N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide is CC(=O)NC1=CC=C(F)CC1.
What is the InChIKey of N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is MRTNMUPMTRPMFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2,4H,3,5H2,1H3,(H,10,11).
What are the key properties of N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide?
N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 155.17 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorocyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 143299281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).