N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide

C6H8F5NO — CID 87289179

IUPACN-(4,4,5,5,5-pentafluoropentan-2-yl)formamide
SMILESCC(CC(F)(F)C(F)(F)F)NC=O
InChIInChI=1S/C6H8F5NO/c1-4(12-3-13)2-5(7,8)6(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyMKRVJXMCZCIQHO-UHFFFAOYSA-N
MW205.13 g/mol
LogP1.71
Rot. Bonds4

About N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide

N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide (PubChem CID 87289179) has the molecular formula C6H8F5NO and a molecular weight of 205.13 g/mol. Its IUPAC name is N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide.

Molecular Properties

Compound NameN-(4,4,5,5,5-pentafluoropentan-2-yl)formamide
PubChem CID87289179
Molecular FormulaC6H8F5NO
Molecular Weight205.13 g/mol
Exact Mass205.05
IUPAC NameN-(4,4,5,5,5-pentafluoropentan-2-yl)formamide
SMILESCC(CC(F)(F)C(F)(F)F)NC=O
InChIInChI=1S/C6H8F5NO/c1-4(12-3-13)2-5(7,8)6(9,10)11/h3-4H,2H2,1H3,(H,12,13)
InChIKeyMKRVJXMCZCIQHO-UHFFFAOYSA-N
XLogP1.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.13
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide?
The IUPAC name of N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide (CID 87289179) is N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide.
What is the SMILES notation for N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide?
The canonical SMILES for N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide is CC(CC(F)(F)C(F)(F)F)NC=O.
What is the InChIKey of N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide?
The InChIKey is MKRVJXMCZCIQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO/c1-4(12-3-13)2-5(7,8)6(9,10)11/h3-4H,2H2,1H3,(H,12,13).
What are the key properties of N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide?
N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide has a molecular weight of 205.13 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,5,5,5-pentafluoropentan-2-yl)formamide is sourced from PubChem (CID 87289179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).