N-ethyl-2-fluoro-2-methyl-N-propylpropanamide

C9H18FNO — CID 123695302

IUPACN-ethyl-2-fluoro-2-methyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5-7H2,1-4H3
InChIKeyVQALKQZVEVMATI-UHFFFAOYSA-N
MW175.25 g/mol
LogP1.99
Rot. Bonds4

About N-ethyl-2-fluoro-2-methyl-N-propylpropanamide

N-ethyl-2-fluoro-2-methyl-N-propylpropanamide (PubChem CID 123695302) has the molecular formula C9H18FNO and a molecular weight of 175.25 g/mol. Its IUPAC name is N-ethyl-2-fluoro-2-methyl-N-propylpropanamide.

Molecular Properties

Compound NameN-ethyl-2-fluoro-2-methyl-N-propylpropanamide
PubChem CID123695302
Molecular FormulaC9H18FNO
Molecular Weight175.25 g/mol
Exact Mass175.14
IUPAC NameN-ethyl-2-fluoro-2-methyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(C)F
InChIInChI=1S/C9H18FNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5-7H2,1-4H3
InChIKeyVQALKQZVEVMATI-UHFFFAOYSA-N
XLogP1.99
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethylpropionamide
CID 66191
N,N-Dibutylpropanamide
CID 70909
N,N-Dibutylacetamide
CID 73811
N,N-Dipropylacetamide
CID 70690
N,N-Diethylbutanamide
CID 66192
N,N-Diisopropyl-2-methylpropanamide
CID 221978
Propanamide, N,N-dipropyl-
CID 70687
Acetamide, N-butyl-N-ethyl-
CID 202537
N,N-diethyl-2,2-dimethylpropanamide
CID 4194999
2,2,3,3,4,4,4-Heptafluoro-N,N-bis(2-methylpropyl)butanamide
CID 4606680
N,N-Dibutylbutanamide
CID 243368
N,N-Diethyl-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 2748458

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-fluoro-2-methyl-N-propylpropanamide?
The IUPAC name of N-ethyl-2-fluoro-2-methyl-N-propylpropanamide (CID 123695302) is N-ethyl-2-fluoro-2-methyl-N-propylpropanamide.
What is the SMILES notation for N-ethyl-2-fluoro-2-methyl-N-propylpropanamide?
The canonical SMILES for N-ethyl-2-fluoro-2-methyl-N-propylpropanamide is CCCN(CC)C(=O)C(C)(C)F.
What is the InChIKey of N-ethyl-2-fluoro-2-methyl-N-propylpropanamide?
The InChIKey is VQALKQZVEVMATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNO/c1-5-7-11(6-2)8(12)9(3,4)10/h5-7H2,1-4H3.
What are the key properties of N-ethyl-2-fluoro-2-methyl-N-propylpropanamide?
N-ethyl-2-fluoro-2-methyl-N-propylpropanamide has a molecular weight of 175.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-fluoro-2-methyl-N-propylpropanamide is sourced from PubChem (CID 123695302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).