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

C10H14F7NO — CID 21049854

IUPACN-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO/c1-3-6(2)7(19)18-5-4-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3,(H,18,19)
InChIKeyKQJYNIJEEHRQSL-UHFFFAOYSA-N
MW297.21 g/mol
LogP3.37
Rot. Bonds6

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

N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide (PubChem CID 21049854) has the molecular formula C10H14F7NO and a molecular weight of 297.21 g/mol. Its IUPAC name is N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide
PubChem CID21049854
Molecular FormulaC10H14F7NO
Molecular Weight297.21 g/mol
Exact Mass297.10
IUPAC NameN-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide
SMILESCCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F7NO/c1-3-6(2)7(19)18-5-4-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3,(H,18,19)
InChIKeyKQJYNIJEEHRQSL-UHFFFAOYSA-N
XLogP3.37
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.21
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-3-oxo-3-(3,3,4,4,4-pentafluorobutylamino)propanoic acid
CID 21072497
3,3,4,4,5,5,6,6,6-nonafluorohexyl 2-methylbutanoate
CID 20727687
N-ethyl-3,3,4,4,5,5,5-heptafluoropentan-1-amine
CID 150635872
ethane;N-ethyl-2-methylbutanamide
CID 145471862
2-methyl-N-[2-(propan-2-ylamino)ethyl]butanamide
CID 62664546
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoroundecyl 2-methylbutanoate
CID 21020702
N-(3-bromobutyl)-2-methylbutanamide
CID 114312674
2-methyl-N-[2-(propylamino)ethyl]butanamide
CID 62658824
N-[2-(2-methoxyethoxy)ethyl]-2-methylbutanamide
CID 59789572
(2S)-2-methyl-N-(2-methylbutyl)butanamide;2-methyl-N-[(2S)-2-methylbutyl]butanamide;(2S)-2-methyl-N-[(2S)-2-methylbutyl]butanamide
CID 167576968
CID 58122074
CID 58122074
2-bromo-N-(3,3,3-trifluoropropyl)propanamide
CID 107905222

Frequently Asked Questions

What is the IUPAC name of N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide?
The IUPAC name of N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide (CID 21049854) is N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide.
What is the SMILES notation for N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide?
The canonical SMILES for N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide is CCC(C)C(=O)NCCC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide?
The InChIKey is KQJYNIJEEHRQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F7NO/c1-3-6(2)7(19)18-5-4-8(11,12)9(13,14)10(15,16)17/h6H,3-5H2,1-2H3,(H,18,19).
What are the key properties of N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide?
N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide has a molecular weight of 297.21 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,4,4,5,5,5-heptafluoropentyl)-2-methylbutanamide is sourced from PubChem (CID 21049854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).