N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide

C10H15F6NO — CID 3326094

IUPACN-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C)NC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c1-4-6(3)17-7(18)8(5-2,9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFEBYZYJAHQQREJ-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.42
Rot. Bonds4

About N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide

N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 3326094) has the molecular formula C10H15F6NO and a molecular weight of 279.22 g/mol. Its IUPAC name is N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
PubChem CID3326094
Molecular FormulaC10H15F6NO
Molecular Weight279.22 g/mol
Exact Mass279.11
IUPAC NameN-butan-2-yl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C)NC(=O)C(CC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H15F6NO/c1-4-6(3)17-7(18)8(5-2,9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18)
InChIKeyFEBYZYJAHQQREJ-UHFFFAOYSA-N
XLogP3.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide (CID 3326094) is N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide is CCC(C)NC(=O)C(CC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is FEBYZYJAHQQREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F6NO/c1-4-6(3)17-7(18)8(5-2,9(11,12)13)10(14,15)16/h6H,4-5H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide?
N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 279.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 3326094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).