N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

C12H19F6NO — CID 2748460

IUPACN,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCN(CCCC)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO/c1-3-5-7-19(8-6-4-2)10(20)9(11(13,14)15)12(16,17)18/h9H,3-8H2,1-2H3
InChIKeyOSMSRRQTCPBTHX-UHFFFAOYSA-N
MW307.28 g/mol
LogP4.16
Rot. Bonds7

About N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide

N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (PubChem CID 2748460) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound NameN,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
PubChem CID2748460
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC NameN,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
SMILESCCCCN(CCCC)C(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO/c1-3-5-7-19(8-6-4-2)10(20)9(11(13,14)15)12(16,17)18/h9H,3-8H2,1-2H3
InChIKeyOSMSRRQTCPBTHX-UHFFFAOYSA-N
XLogP4.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The IUPAC name of N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide (CID 2748460) is N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide.
What is the SMILES notation for N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The canonical SMILES for N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is CCCCN(CCCC)C(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
The InChIKey is OSMSRRQTCPBTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-3-5-7-19(8-6-4-2)10(20)9(11(13,14)15)12(16,17)18/h9H,3-8H2,1-2H3.
What are the key properties of N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide?
N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide has a molecular weight of 307.28 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 2748460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).