N-(1-fluoroprop-2-enyl)pentanamide

C8H14FNO — CID 174776839

IUPACN-(1-fluoroprop-2-enyl)pentanamide
SMILESC=CC(F)NC(=O)CCCC
InChIInChI=1S/C8H14FNO/c1-3-5-6-8(11)10-7(9)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyFCJQXMVSGMWYBF-UHFFFAOYSA-N
MW159.20 g/mol
LogP1.77
Rot. Bonds5

About N-(1-fluoroprop-2-enyl)pentanamide

N-(1-fluoroprop-2-enyl)pentanamide (PubChem CID 174776839) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is N-(1-fluoroprop-2-enyl)pentanamide.

Molecular Properties

Compound NameN-(1-fluoroprop-2-enyl)pentanamide
PubChem CID174776839
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC NameN-(1-fluoroprop-2-enyl)pentanamide
SMILESC=CC(F)NC(=O)CCCC
InChIInChI=1S/C8H14FNO/c1-3-5-6-8(11)10-7(9)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11)
InChIKeyFCJQXMVSGMWYBF-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroprop-2-enyl)pentanamide?
The IUPAC name of N-(1-fluoroprop-2-enyl)pentanamide (CID 174776839) is N-(1-fluoroprop-2-enyl)pentanamide.
What is the SMILES notation for N-(1-fluoroprop-2-enyl)pentanamide?
The canonical SMILES for N-(1-fluoroprop-2-enyl)pentanamide is C=CC(F)NC(=O)CCCC.
What is the InChIKey of N-(1-fluoroprop-2-enyl)pentanamide?
The InChIKey is FCJQXMVSGMWYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c1-3-5-6-8(11)10-7(9)4-2/h4,7H,2-3,5-6H2,1H3,(H,10,11).
What are the key properties of N-(1-fluoroprop-2-enyl)pentanamide?
N-(1-fluoroprop-2-enyl)pentanamide has a molecular weight of 159.20 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroprop-2-enyl)pentanamide is sourced from PubChem (CID 174776839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).