N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide

C10H14FNO — CID 142221799

IUPACN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCCNC(=O)CC1=C(F)CCC=C1
InChIInChI=1S/C10H14FNO/c1-2-12-10(13)7-8-5-3-4-6-9(8)11/h3,5H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyZIGWBTZFQZWPKK-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.09
Rot. Bonds3

About N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide

N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 142221799) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID142221799
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCCNC(=O)CC1=C(F)CCC=C1
InChIInChI=1S/C10H14FNO/c1-2-12-10(13)7-8-5-3-4-6-9(8)11/h3,5H,2,4,6-7H2,1H3,(H,12,13)
InChIKeyZIGWBTZFQZWPKK-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide (CID 142221799) is N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide is CCNC(=O)CC1=C(F)CCC=C1.
What is the InChIKey of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is ZIGWBTZFQZWPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-2-12-10(13)7-8-5-3-4-6-9(8)11/h3,5H,2,4,6-7H2,1H3,(H,12,13).
What are the key properties of N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide?
N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide has a molecular weight of 183.23 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-fluorocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 142221799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).