N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide

C9H12FNO — CID 57109470

IUPACN-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
SMILESCC(NC=O)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FNO/c1-7(11-6-12)8-4-2-3-5-9(8)10/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyOGGQGDWOAGLLEB-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.69
Rot. Bonds3

About N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide

N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide (PubChem CID 57109470) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
PubChem CID57109470
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC NameN-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide
SMILESCC(NC=O)C1=C(F)C=CCC1
InChIInChI=1S/C9H12FNO/c1-7(11-6-12)8-4-2-3-5-9(8)10/h3,5-7H,2,4H2,1H3,(H,11,12)
InChIKeyOGGQGDWOAGLLEB-UHFFFAOYSA-N
XLogP1.69
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3E,5E)-6-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]formamide
CID 88935034
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-(2-fluoro-2,3,5,6-tetrahydro-1H-inden-5-yl)formamide
CID 89215020
N-[2-amino-3-ethenylidene-5-(trifluoromethyl)octa-4,6-dienyl]formamide
CID 90860011
N-[[(4S)-4-fluorocyclohexa-1,5-dien-1-yl]methyl]formamide
CID 117997701
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 117997713
N-[2-[5-methyl-3-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 141898540
N-[(Z,3E)-2-fluoro-3-prop-2-enylidenehept-4-enyl]formamide
CID 144740320
N-[2-[4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]ethyl]formamide
CID 145433323
N-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]formamide
CID 156168339
N-[(4Z,6R)-6-fluoro-2-methyl-4-(propylaminomethyl)hepta-1,4-dien-3-yl]formamide
CID 167034520
N-[(6-fluoro-5-methylcyclohexa-1,5-dien-1-yl)methyl]formamide
CID 171558050

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide?
The IUPAC name of N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide (CID 57109470) is N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide.
What is the SMILES notation for N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide?
The canonical SMILES for N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide is CC(NC=O)C1=C(F)C=CCC1.
What is the InChIKey of N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide?
The InChIKey is OGGQGDWOAGLLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-7(11-6-12)8-4-2-3-5-9(8)10/h3,5-7H,2,4H2,1H3,(H,11,12).
What are the key properties of N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide?
N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide has a molecular weight of 169.20 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorocyclohexa-1,3-dien-1-yl)ethyl]formamide is sourced from PubChem (CID 57109470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).