2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide

C13H22F5NO — CID 71671754

IUPAC2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-9(2)5-7-19(8-6-10(3)4)11(20)12(14,15)13(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyXMRQKLMAKAAAIW-UHFFFAOYSA-N
MW303.32 g/mol
LogP4.10
Rot. Bonds7

About 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide

2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide (PubChem CID 71671754) has the molecular formula C13H22F5NO and a molecular weight of 303.32 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide
PubChem CID71671754
Molecular FormulaC13H22F5NO
Molecular Weight303.32 g/mol
Exact Mass303.16
IUPAC Name2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide
SMILESCC(C)CCN(CCC(C)C)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H22F5NO/c1-9(2)5-7-19(8-6-10(3)4)11(20)12(14,15)13(16,17)18/h9-10H,5-8H2,1-4H3
InChIKeyXMRQKLMAKAAAIW-UHFFFAOYSA-N
XLogP4.10
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-2-oxopropyl)-2,2,3,3,3-pentafluoro-N-(2-methylpropyl)propanamide
CID 114038298
2-(ethylamino)-2-methyl-N,N-bis(3-methylbutyl)propanamide
CID 62834927
4-[bis(3-methylbutyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76993174
2-chloro-N,N-bis(3-methylbutyl)propanamide
CID 60718201
(2S)-2-amino-N,N-bis(3-methylbutyl)propanamide
CID 61147605
N-(2-methylpropyl)-N-prop-1-en-2-ylacetamide
CID 166860260
N-(4-bromo-3-oxobutyl)-2,2,3,3,3-pentafluoro-N-propan-2-ylpropanamide
CID 114038289
2-amino-N-[2-(dimethylamino)ethyl]-3,3,3-trifluoro-2-methyl-N-(2-methylpropyl)propanamide
CID 79805335
2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
(E)-4-[bis(3-methylbutyl)amino]-4-oxobut-2-enoic acid
CID 54874958
2,2,2-trifluoroethyl N-methyl-N-(3-methylbutyl)carbamate
CID 61066672
2,2,2-trifluoro-N-(3-methylpentyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 135260116

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide (CID 71671754) is 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide is CC(C)CCN(CCC(C)C)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide?
The InChIKey is XMRQKLMAKAAAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F5NO/c1-9(2)5-7-19(8-6-10(3)4)11(20)12(14,15)13(16,17)18/h9-10H,5-8H2,1-4H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide?
2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide has a molecular weight of 303.32 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N,N-bis(3-methylbutyl)propanamide is sourced from PubChem (CID 71671754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).