N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide

C16H27F6NO — CID 3326098

IUPACN,N-dipentyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCCCN(CCCCC)C(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6NO/c1-4-7-9-11-23(12-10-8-5-2)13(24)14(6-3,15(17,18)19)16(20,21)22/h4-12H2,1-3H3
InChIKeyYHIVEVASUADQRZ-UHFFFAOYSA-N
MW363.39 g/mol
LogP5.72
Rot. Bonds10

About N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide

N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 3326098) has the molecular formula C16H27F6NO and a molecular weight of 363.39 g/mol. Its IUPAC name is N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN,N-dipentyl-2,2-bis(trifluoromethyl)butanamide
PubChem CID3326098
Molecular FormulaC16H27F6NO
Molecular Weight363.39 g/mol
Exact Mass363.20
IUPAC NameN,N-dipentyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCCCCN(CCCCC)C(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H27F6NO/c1-4-7-9-11-23(12-10-8-5-2)13(24)14(6-3,15(17,18)19)16(20,21)22/h4-12H2,1-3H3
InChIKeyYHIVEVASUADQRZ-UHFFFAOYSA-N
XLogP5.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.39
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-di-n-Pentylheptafluorobutyramide
CID 617537
Heptafluorobutanamide, N,N-dihexyl-
CID 532976
Heptafluorobutanamide, N,N-diheptyl-
CID 532979
Pentafluoropropanamide, N,N-diheptyl-
CID 533203
N,N-diethyl-3,3,4,4,5,5,5-heptafluoro-2-(trifluoromethyl)pentanamide
CID 12686759
N,N-Diethyl-4,4,5,5,5-pentafluoro-2-(trifluoromethyl)pentanamide
CID 23266384
2-methyl-N-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-N-propylbutanamide
CID 21020690
N-butyl-2,2-dimethyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)butanamide
CID 21020748
N-(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-hexadecafluoroundecyl)-N,2,2-trimethylbutanamide
CID 57944858
2-methyl-N,N-di(propan-2-yl)-2-(trifluoromethyl)butanamide
CID 57981547
1-(3,3-Difluoropyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 58116696
5,5,5-trifluoro-N-methyl-N-(2,3,3-trimethylbutan-2-yl)pentanamide
CID 58297222

Frequently Asked Questions

What is the IUPAC name of N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide (CID 3326098) is N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide is CCCCCN(CCCCC)C(=O)C(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is YHIVEVASUADQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F6NO/c1-4-7-9-11-23(12-10-8-5-2)13(24)14(6-3,15(17,18)19)16(20,21)22/h4-12H2,1-3H3.
What are the key properties of N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide?
N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 363.39 g/mol, XLogP of 5.72, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipentyl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 3326098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).