4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide

C8H14F3NO — CID 23548714

IUPAC4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(2)12-7(13)6(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyBMQHCPVNWZWCGO-UHFFFAOYSA-N
MW197.20 g/mol
LogP2.10
Rot. Bonds3

About 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide

4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide (PubChem CID 23548714) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide
PubChem CID23548714
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(C)CC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-5(2)12-7(13)6(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13)
InChIKeyBMQHCPVNWZWCGO-UHFFFAOYSA-N
XLogP2.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide (CID 23548714) is 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide?
The InChIKey is BMQHCPVNWZWCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-5(2)12-7(13)6(3)4-8(9,10)11/h5-6H,4H2,1-3H3,(H,12,13).
What are the key properties of 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide?
4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide has a molecular weight of 197.20 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 23548714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).