N-(5,5,5-trifluoropent-1-en-3-yl)formamide

C6H8F3NO — CID 118052165

IUPACN-(5,5,5-trifluoropent-1-en-3-yl)formamide
SMILESC=CC(CC(F)(F)F)NC=O
InChIInChI=1S/C6H8F3NO/c1-2-5(10-4-11)3-6(7,8)9/h2,4-5H,1,3H2,(H,10,11)
InChIKeyKBWAASYSKFSNEP-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.24
Rot. Bonds4

About N-(5,5,5-trifluoropent-1-en-3-yl)formamide

N-(5,5,5-trifluoropent-1-en-3-yl)formamide (PubChem CID 118052165) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(5,5,5-trifluoropent-1-en-3-yl)formamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropent-1-en-3-yl)formamide
PubChem CID118052165
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(5,5,5-trifluoropent-1-en-3-yl)formamide
SMILESC=CC(CC(F)(F)F)NC=O
InChIInChI=1S/C6H8F3NO/c1-2-5(10-4-11)3-6(7,8)9/h2,4-5H,1,3H2,(H,10,11)
InChIKeyKBWAASYSKFSNEP-UHFFFAOYSA-N
XLogP1.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropent-1-en-3-yl)formamide?
The IUPAC name of N-(5,5,5-trifluoropent-1-en-3-yl)formamide (CID 118052165) is N-(5,5,5-trifluoropent-1-en-3-yl)formamide.
What is the SMILES notation for N-(5,5,5-trifluoropent-1-en-3-yl)formamide?
The canonical SMILES for N-(5,5,5-trifluoropent-1-en-3-yl)formamide is C=CC(CC(F)(F)F)NC=O.
What is the InChIKey of N-(5,5,5-trifluoropent-1-en-3-yl)formamide?
The InChIKey is KBWAASYSKFSNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-5(10-4-11)3-6(7,8)9/h2,4-5H,1,3H2,(H,10,11).
What are the key properties of N-(5,5,5-trifluoropent-1-en-3-yl)formamide?
N-(5,5,5-trifluoropent-1-en-3-yl)formamide has a molecular weight of 167.13 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropent-1-en-3-yl)formamide is sourced from PubChem (CID 118052165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).