N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide

C9H16FNO — CID 131131570

IUPACN-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCCF)C1
InChIInChI=1S/C9H16FNO/c1-9(2)5-7(6-9)8(12)11-4-3-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyNOPDLOGGGSIOBK-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.51
Rot. Bonds3

About N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide

N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide (PubChem CID 131131570) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
PubChem CID131131570
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC NameN-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide
SMILESCC1(C)CC(C(=O)NCCF)C1
InChIInChI=1S/C9H16FNO/c1-9(2)5-7(6-9)8(12)11-4-3-10/h7H,3-6H2,1-2H3,(H,11,12)
InChIKeyNOPDLOGGGSIOBK-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 76624204
N-(2-fluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 87325134
N-[2-[2-(5-fluoro-2-propan-2-ylphenoxy)ethoxy]ethyl]-3,3-dimethylcyclobutane-1-carboxamide
CID 176701362
2-amino-N-(2-fluoroethyl)cyclohexane-1-carboxamide
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N-ethylspiro[3.3]heptane-2-carboxamide
CID 164555902
N-(5-aminopentyl)-2,2-dimethylcyclopropane-1-carboxamide
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N-[2-[(2,2,5,5-tetramethyloxolan-3-yl)amino]ethyl]cyclopropanecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide (CID 131131570) is N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide is CC1(C)CC(C(=O)NCCF)C1.
What is the InChIKey of N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is NOPDLOGGGSIOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2)5-7(6-9)8(12)11-4-3-10/h7H,3-6H2,1-2H3,(H,11,12).
What are the key properties of N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide?
N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 173.23 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 N-(2-fluoroethyl)-3,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 131131570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).