2-fluoro-3-methyl-N-propan-2-ylbutanamide

C8H16FNO — CID 130743895

IUPAC2-fluoro-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)C(C)C
InChIInChI=1S/C8H16FNO/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,1-4H3,(H,10,11)
InChIKeyYDRQQOSVZVXJQG-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.51
Rot. Bonds3

About 2-fluoro-3-methyl-N-propan-2-ylbutanamide

2-fluoro-3-methyl-N-propan-2-ylbutanamide (PubChem CID 130743895) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-propan-2-ylbutanamide
PubChem CID130743895
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-fluoro-3-methyl-N-propan-2-ylbutanamide
SMILESCC(C)NC(=O)C(F)C(C)C
InChIInChI=1S/C8H16FNO/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,1-4H3,(H,10,11)
InChIKeyYDRQQOSVZVXJQG-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 2-fluoro-3-methyl-N-propan-2-ylbutanamide (CID 130743895) is 2-fluoro-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 2-fluoro-3-methyl-N-propan-2-ylbutanamide is CC(C)NC(=O)C(F)C(C)C.
What is the InChIKey of 2-fluoro-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is YDRQQOSVZVXJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-5(2)7(9)8(11)10-6(3)4/h5-7H,1-4H3,(H,10,11).
What are the key properties of 2-fluoro-3-methyl-N-propan-2-ylbutanamide?
2-fluoro-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 161.22 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 130743895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).