2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide

C6H8F5NO2 — CID 90125054

IUPAC2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-12(14-2)4(13)5(7,8)3-6(9,10)11/h3H2,1-2H3
InChIKeyVBVVJSMVTPJMBC-UHFFFAOYSA-N
MW221.12 g/mol
LogP1.59
Rot. Bonds3

About 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide

2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide (PubChem CID 90125054) has the molecular formula C6H8F5NO2 and a molecular weight of 221.12 g/mol. Its IUPAC name is 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
PubChem CID90125054
Molecular FormulaC6H8F5NO2
Molecular Weight221.12 g/mol
Exact Mass221.05
IUPAC Name2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C(F)(F)CC(F)(F)F
InChIInChI=1S/C6H8F5NO2/c1-12(14-2)4(13)5(7,8)3-6(9,10)11/h3H2,1-2H3
InChIKeyVBVVJSMVTPJMBC-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.12
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,4-Heptafluoro-N-hydroxy-N-methylbutanamide
CID 71347328
N-Methoxy-N-methylbutyramide
CID 13704543
N-methoxy-N-methyl-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57785368
2,2-difluoro-N-methoxy-N-methylpropanamide
CID 58736313
Propanamide, 2,3,3,3-tetrafluoro-N-methoxy-N-methyl-
CID 11159785
2,2,3,3,3-pentafluoro-N-methoxy-N-methylpropanamide
CID 76764512
(2R)-2-fluoro-N-methoxy-N-methylpropanamide
CID 10909620
N-Methyl-N-methoxy-bistrifluoromethylacetamide
CID 548349
4,4,4-trifluoro-N-methoxy-N-methylbutanamide
CID 22507277
4,4,4-trifluoro-N-methoxy-N-methyl-3-oxobutanamide
CID 22988005
3,3,3-Trifluoro-N-methoxy-N-methylpropanamide
CID 53403832
2,2-difluoro-N-methoxy-N-methylcyclopropane-1-carboxamide
CID 53416131

Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide?
The IUPAC name of 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide (CID 90125054) is 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide.
What is the SMILES notation for 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide?
The canonical SMILES for 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide is CON(C)C(=O)C(F)(F)CC(F)(F)F.
What is the InChIKey of 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide?
The InChIKey is VBVVJSMVTPJMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F5NO2/c1-12(14-2)4(13)5(7,8)3-6(9,10)11/h3H2,1-2H3.
What are the key properties of 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide?
2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide has a molecular weight of 221.12 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,4-pentafluoro-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 90125054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).