N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide

C10H15F6NO — CID 20727728

IUPACN-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F6NO/c1-3-6(2)7(18)17-5-4-9(13,14)10(15,16)8(11)12/h6,8H,3-5H2,1-2H3,(H,17,18)
InChIKeyCRPGRMHSGYCZKH-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.07
Rot. Bonds7

About N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide

N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide (PubChem CID 20727728) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide
PubChem CID20727728
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC NameN-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C10H15F6NO/c1-3-6(2)7(18)17-5-4-9(13,14)10(15,16)8(11)12/h6,8H,3-5H2,1-2H3,(H,17,18)
InChIKeyCRPGRMHSGYCZKH-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide?
The IUPAC name of N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide (CID 20727728) is N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide.
What is the SMILES notation for N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide?
The canonical SMILES for N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide is CCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)F.
What is the InChIKey of N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide?
The InChIKey is CRPGRMHSGYCZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c1-3-6(2)7(18)17-5-4-9(13,14)10(15,16)8(11)12/h6,8H,3-5H2,1-2H3,(H,17,18).
What are the key properties of N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide?
N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide has a molecular weight of 279.22 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5-hexafluoropentyl)-2-methylbutanamide is sourced from PubChem (CID 20727728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).