N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide

C11H20FNO — CID 22958790

IUPACN-(4-fluorocyclohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(F)CC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyYAYPPVALONESCP-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.43
Rot. Bonds1

About N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide

N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide (PubChem CID 22958790) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4-fluorocyclohexyl)-2,2-dimethylpropanamide
PubChem CID22958790
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC NameN-(4-fluorocyclohexyl)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)NC1CCC(F)CC1
InChIInChI=1S/C11H20FNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14)
InChIKeyYAYPPVALONESCP-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide?
The IUPAC name of N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide (CID 22958790) is N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide is CC(C)(C)C(=O)NC1CCC(F)CC1.
What is the InChIKey of N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide?
The InChIKey is YAYPPVALONESCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c1-11(2,3)10(14)13-9-6-4-8(12)5-7-9/h8-9H,4-7H2,1-3H3,(H,13,14).
What are the key properties of N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide?
N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide has a molecular weight of 201.28 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 22958790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).