N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide

C13H24FNO — CID 68856359

IUPACN-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide
SMILESCC1(C)CCC(NC(=O)C(C)(C)CF)CC1
InChIInChI=1S/C13H24FNO/c1-12(2)7-5-10(6-8-12)15-11(16)13(3,4)9-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyYMLSEUNMZWDFGY-UHFFFAOYSA-N
MW229.34 g/mol
LogP3.07
Rot. Bonds3

About N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide

N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide (PubChem CID 68856359) has the molecular formula C13H24FNO and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide
PubChem CID68856359
Molecular FormulaC13H24FNO
Molecular Weight229.34 g/mol
Exact Mass229.18
IUPAC NameN-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide
SMILESCC1(C)CCC(NC(=O)C(C)(C)CF)CC1
InChIInChI=1S/C13H24FNO/c1-12(2)7-5-10(6-8-12)15-11(16)13(3,4)9-14/h10H,5-9H2,1-4H3,(H,15,16)
InChIKeyYMLSEUNMZWDFGY-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide?
The IUPAC name of N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide (CID 68856359) is N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide?
The canonical SMILES for N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide is CC1(C)CCC(NC(=O)C(C)(C)CF)CC1.
What is the InChIKey of N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide?
The InChIKey is YMLSEUNMZWDFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24FNO/c1-12(2)7-5-10(6-8-12)15-11(16)13(3,4)9-14/h10H,5-9H2,1-4H3,(H,15,16).
What are the key properties of N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide?
N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide has a molecular weight of 229.34 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethylcyclohexyl)-3-fluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 68856359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).