N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide

C11H14FNO — CID 123819181

IUPACN-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
SMILESC=C(C)C1=C(NC(C)=O)C(F)CC=C1
InChIInChI=1S/C11H14FNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-5,10H,1,6H2,2-3H3,(H,13,14)
InChIKeyNWFXCVFRYMMVCI-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.25
Rot. Bonds2

About N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide

N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide (PubChem CID 123819181) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
PubChem CID123819181
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC NameN-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
SMILESC=C(C)C1=C(NC(C)=O)C(F)CC=C1
InChIInChI=1S/C11H14FNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-5,10H,1,6H2,2-3H3,(H,13,14)
InChIKeyNWFXCVFRYMMVCI-UHFFFAOYSA-N
XLogP2.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-acetylcyclohexadienylamine
CID 19382580
N-(1-cyclopenta-2,4-dien-1-ylideneethyl)acetamide
CID 53660602
N-tert-butyl-1-fluorocyclohexa-2,4-diene-1-carboxamide
CID 19418905
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
1-tert-butyl-6-fluoro-2H-isoquinolin-3-one
CID 90892190
5-fluoro-1,4-dimethyl-2H-isoquinolin-3-one
CID 123235294
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
5-fluoro-4,6-dimethyl-1H-pyridin-2-one
CID 140316101

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide?
The IUPAC name of N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide (CID 123819181) is N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide.
What is the SMILES notation for N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide?
The canonical SMILES for N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide is C=C(C)C1=C(NC(C)=O)C(F)CC=C1.
What is the InChIKey of N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide?
The InChIKey is NWFXCVFRYMMVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c1-7(2)9-5-4-6-10(12)11(9)13-8(3)14/h4-5,10H,1,6H2,2-3H3,(H,13,14).
What are the key properties of N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide?
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide has a molecular weight of 195.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide is sourced from PubChem (CID 123819181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).