N-(5,5,5-trifluoropentyl)formamide

C6H10F3NO — CID 87288762

IUPACN-(5,5,5-trifluoropentyl)formamide
SMILESO=CNCCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)3-1-2-4-10-5-11/h5H,1-4H2,(H,10,11)
InChIKeyRFJHSQDRDVBXTE-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.47
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)formamide

N-(5,5,5-trifluoropentyl)formamide (PubChem CID 87288762) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)formamide.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)formamide
PubChem CID87288762
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC NameN-(5,5,5-trifluoropentyl)formamide
SMILESO=CNCCCCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)3-1-2-4-10-5-11/h5H,1-4H2,(H,10,11)
InChIKeyRFJHSQDRDVBXTE-UHFFFAOYSA-N
XLogP1.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)formamide?
The IUPAC name of N-(5,5,5-trifluoropentyl)formamide (CID 87288762) is N-(5,5,5-trifluoropentyl)formamide.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)formamide?
The canonical SMILES for N-(5,5,5-trifluoropentyl)formamide is O=CNCCCCC(F)(F)F.
What is the InChIKey of N-(5,5,5-trifluoropentyl)formamide?
The InChIKey is RFJHSQDRDVBXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)3-1-2-4-10-5-11/h5H,1-4H2,(H,10,11).
What are the key properties of N-(5,5,5-trifluoropentyl)formamide?
N-(5,5,5-trifluoropentyl)formamide has a molecular weight of 169.15 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)formamide is sourced from PubChem (CID 87288762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).