4-fluoro-N,2,2-trimethyl-N-propylpentanamide

C11H22FNO — CID 91419819

IUPAC4-fluoro-N,2,2-trimethyl-N-propylpentanamide
SMILESCCCN(C)C(=O)C(C)(C)CC(C)F
InChIInChI=1S/C11H22FNO/c1-6-7-13(5)10(14)11(3,4)8-9(2)12/h9H,6-8H2,1-5H3
InChIKeyLDYQEUWESNOAER-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.63
Rot. Bonds5

About 4-fluoro-N,2,2-trimethyl-N-propylpentanamide

4-fluoro-N,2,2-trimethyl-N-propylpentanamide (PubChem CID 91419819) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 4-fluoro-N,2,2-trimethyl-N-propylpentanamide.

Molecular Properties

Compound Name4-fluoro-N,2,2-trimethyl-N-propylpentanamide
PubChem CID91419819
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name4-fluoro-N,2,2-trimethyl-N-propylpentanamide
SMILESCCCN(C)C(=O)C(C)(C)CC(C)F
InChIInChI=1S/C11H22FNO/c1-6-7-13(5)10(14)11(3,4)8-9(2)12/h9H,6-8H2,1-5H3
InChIKeyLDYQEUWESNOAER-UHFFFAOYSA-N
XLogP2.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2,2-trimethyl-N-propylpentanamide?
The IUPAC name of 4-fluoro-N,2,2-trimethyl-N-propylpentanamide (CID 91419819) is 4-fluoro-N,2,2-trimethyl-N-propylpentanamide.
What is the SMILES notation for 4-fluoro-N,2,2-trimethyl-N-propylpentanamide?
The canonical SMILES for 4-fluoro-N,2,2-trimethyl-N-propylpentanamide is CCCN(C)C(=O)C(C)(C)CC(C)F.
What is the InChIKey of 4-fluoro-N,2,2-trimethyl-N-propylpentanamide?
The InChIKey is LDYQEUWESNOAER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-6-7-13(5)10(14)11(3,4)8-9(2)12/h9H,6-8H2,1-5H3.
What are the key properties of 4-fluoro-N,2,2-trimethyl-N-propylpentanamide?
4-fluoro-N,2,2-trimethyl-N-propylpentanamide has a molecular weight of 203.30 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2,2-trimethyl-N-propylpentanamide is sourced from PubChem (CID 91419819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).