N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide

C9H16FNO — CID 159740095

IUPACN-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC1(C)F
InChIInChI=1S/C9H16FNO/c1-8(2,3)7(12)11-6-5-9(6,4)10/h6H,5H2,1-4H3,(H,11,12)
InChIKeyKTWICJWOZORQNR-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.65
Rot. Bonds1

About N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide

N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide (PubChem CID 159740095) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide
PubChem CID159740095
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CC1(C)F
InChIInChI=1S/C9H16FNO/c1-8(2,3)7(12)11-6-5-9(6,4)10/h6H,5H2,1-4H3,(H,11,12)
InChIKeyKTWICJWOZORQNR-UHFFFAOYSA-N
XLogP1.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide (CID 159740095) is N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CC1(C)F.
What is the InChIKey of N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide?
The InChIKey is KTWICJWOZORQNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-8(2,3)7(12)11-6-5-9(6,4)10/h6H,5H2,1-4H3,(H,11,12).
What are the key properties of N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide?
N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide has a molecular weight of 173.23 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-2-methylcyclopropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 159740095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).