N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide

C13H20FNO — CID 70261540

IUPACN-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)C1=CC=C(F)CC1
InChIInChI=1S/C13H20FNO/c1-3-4-5-13(16)15-10(2)11-6-8-12(14)9-7-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyIJPPCZSXVMUPNV-UHFFFAOYSA-N
MW225.31 g/mol
LogP3.25
Rot. Bonds5

About N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide

N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide (PubChem CID 70261540) has the molecular formula C13H20FNO and a molecular weight of 225.31 g/mol. Its IUPAC name is N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
PubChem CID70261540
Molecular FormulaC13H20FNO
Molecular Weight225.31 g/mol
Exact Mass225.15
IUPAC NameN-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide
SMILESCCCCC(=O)NC(C)C1=CC=C(F)CC1
InChIInChI=1S/C13H20FNO/c1-3-4-5-13(16)15-10(2)11-6-8-12(14)9-7-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16)
InChIKeyIJPPCZSXVMUPNV-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4,5-difluorocyclohexa-2,4-dien-1-yl)cyclobutanecarboxamide
CID 172877856
N-[3-(trifluoromethyl)cyclohex-2-en-1-yl]acetamide
CID 11095798
3-fluoro-3,4-dimethyl-7,7a-dihydro-1H-indol-2-one
CID 68312183
5-amino-N-[5,6-dimethyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentanamide
CID 70892604
N-(3,5-difluoro-1-methylcyclohexa-2,4-dien-1-yl)-5-(methylamino)pentanamide
CID 70892609
4-amino-N-(3,5-difluoro-4-methylcyclohexa-2,4-dien-1-yl)cyclohex-2-ene-1-carboxamide
CID 70974405
5-amino-N-(3,4-difluorocyclohexa-2,4-dien-1-yl)pentanamide
CID 71040291
N-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073501
N-[(4-fluorocyclohexa-1,3-dien-1-yl)methyl]acetamide
CID 89073535
2-(3-aminopropyl)-N-[3-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]pent-4-enamide
CID 89073749
5-amino-N-[(5E)-7,7,7-trifluoro-2,6-dimethylhepta-1,5-dien-3-yl]pentanamide
CID 89153913
5-amino-N-[(2R,3Z,5E)-3-methyl-5-(trifluoromethyl)hepta-3,5-dien-2-yl]pentanamide
CID 89214736

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide?
The IUPAC name of N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide (CID 70261540) is N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide.
What is the SMILES notation for N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide?
The canonical SMILES for N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide is CCCCC(=O)NC(C)C1=CC=C(F)CC1.
What is the InChIKey of N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide?
The InChIKey is IJPPCZSXVMUPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO/c1-3-4-5-13(16)15-10(2)11-6-8-12(14)9-7-11/h6,8,10H,3-5,7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide?
N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide has a molecular weight of 225.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorocyclohexa-1,3-dien-1-yl)ethyl]pentanamide is sourced from PubChem (CID 70261540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).