N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide

C9H14FNO — CID 178011694

IUPACN-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(F)CCC1
InChIInChI=1S/C9H14FNO/c1-2-3-7-11-8(12)9(10)5-4-6-9/h2-3H,4-7H2,1H3,(H,11,12)/b3-2+
InChIKeyHUHYVNMKVGFBMN-NSCUHMNNSA-N
MW171.22 g/mol
LogP1.57
Rot. Bonds3

About N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide

N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide (PubChem CID 178011694) has the molecular formula C9H14FNO and a molecular weight of 171.22 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide
PubChem CID178011694
Molecular FormulaC9H14FNO
Molecular Weight171.22 g/mol
Exact Mass171.11
IUPAC NameN-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide
SMILESC/C=C/CNC(=O)C1(F)CCC1
InChIInChI=1S/C9H14FNO/c1-2-3-7-11-8(12)9(10)5-4-6-9/h2-3H,4-7H2,1H3,(H,11,12)/b3-2+
InChIKeyHUHYVNMKVGFBMN-NSCUHMNNSA-N
XLogP1.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.22
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-prop-2-enylpentanamide
CID 22975877
N-[(2E)-2,5-dimethylhexa-2,4-dienyl]-3,3-difluorocyclobutane-1-carboxamide
CID 166927491
N-(1-fluoroprop-2-enyl)pentanamide
CID 174776839
5,5-difluoro-N-prop-2-enylpentanamide
CID 176815907
2,2-difluoro-N-[(E)-4-methylpent-2-enyl]cyclobutane-1-carboxamide
CID 178010167
N-[(E)-but-2-enyl]-2-cyclopropyl-2,2-difluoroacetamide;ethane
CID 178011026
N-[(E)-but-2-enyl]-1-(fluoromethyl)cyclopropane-1-carboxamide
CID 178011551
Cyclobutylcarboxamide, N-allyl-
CID 55207578
N-but-3-en-2-yl-3,3-difluorocyclobutane-1-carboxamide
CID 130927376
2,2-difluoro-3-methyl-N-prop-2-enylcyclopropane-1-carboxamide
CID 131176141
N-[(E)-but-2-enyl]-2-fluoro-2-methylpentanamide
CID 178010246
N-[(E)-but-2-enyl]-1-fluorocyclopropane-1-carboxamide
CID 178010456

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide?
The IUPAC name of N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide (CID 178011694) is N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide?
The canonical SMILES for N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide is C/C=C/CNC(=O)C1(F)CCC1.
What is the InChIKey of N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide?
The InChIKey is HUHYVNMKVGFBMN-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H14FNO/c1-2-3-7-11-8(12)9(10)5-4-6-9/h2-3H,4-7H2,1H3,(H,11,12)/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide?
N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide has a molecular weight of 171.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-1-fluorocyclobutane-1-carboxamide is sourced from PubChem (CID 178011694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).