pent-1-ene;3-(trifluoromethyl)benzamide

C13H16F3NO — CID 174337968

IUPACpent-1-ene;3-(trifluoromethyl)benzamide
SMILESC=CCCC.NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO.C5H10/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-3-5-4-2/h1-4H,(H2,12,13);3H,1,4-5H2,2H3
InChIKeyOSKAGTQHHXNSSF-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.78
Rot. Bonds3

About pent-1-ene;3-(trifluoromethyl)benzamide

pent-1-ene;3-(trifluoromethyl)benzamide (PubChem CID 174337968) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is pent-1-ene;3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Namepent-1-ene;3-(trifluoromethyl)benzamide
PubChem CID174337968
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Namepent-1-ene;3-(trifluoromethyl)benzamide
SMILESC=CCCC.NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H6F3NO.C5H10/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-3-5-4-2/h1-4H,(H2,12,13);3H,1,4-5H2,2H3
InChIKeyOSKAGTQHHXNSSF-UHFFFAOYSA-N
XLogP3.78
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze pent-1-ene;3-(trifluoromethyl)benzamide 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

3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
octadecyl 3-(trifluoromethyl)benzoate
CID 605694
3-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]propyl]amino]benzamide
CID 111121610
2-[3-(trifluoromethyl)phenyl]prop-2-enal
CID 117266827
(Z)-3-amino-1,3-bis[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 177472811
2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-one
CID 24724049
2-methylprop-2-enyl 3-(trifluoromethyl)benzoate
CID 78789073
1-methyl-3-nitrobenzene;3-(trifluoromethyl)benzamide
CID 174838566
3-[[3-(trifluoromethyl)anilino]methyl]benzamide
CID 28571852
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750

Frequently Asked Questions

What is the IUPAC name of pent-1-ene;3-(trifluoromethyl)benzamide?
The IUPAC name of pent-1-ene;3-(trifluoromethyl)benzamide (CID 174337968) is pent-1-ene;3-(trifluoromethyl)benzamide.
What is the SMILES notation for pent-1-ene;3-(trifluoromethyl)benzamide?
The canonical SMILES for pent-1-ene;3-(trifluoromethyl)benzamide is C=CCCC.NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of pent-1-ene;3-(trifluoromethyl)benzamide?
The InChIKey is OSKAGTQHHXNSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO.C5H10/c9-8(10,11)6-3-1-2-5(4-6)7(12)13;1-3-5-4-2/h1-4H,(H2,12,13);3H,1,4-5H2,2H3.
What are the key properties of pent-1-ene;3-(trifluoromethyl)benzamide?
pent-1-ene;3-(trifluoromethyl)benzamide has a molecular weight of 259.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene;3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174337968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).