3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide

C13H23F2NO — CID 90907861

IUPAC3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide
SMILESCC1(C)CCC(C(F)(F)C(C)(C)C(N)=O)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2)7-5-9(6-8-11)13(14,15)12(3,4)10(16)17/h9H,5-8H2,1-4H3,(H2,16,17)
InChIKeySPBQXSUKNZVUNV-UHFFFAOYSA-N
MW247.33 g/mol
LogP3.35
Rot. Bonds3

About 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide

3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide (PubChem CID 90907861) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide
PubChem CID90907861
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide
SMILESCC1(C)CCC(C(F)(F)C(C)(C)C(N)=O)CC1
InChIInChI=1S/C13H23F2NO/c1-11(2)7-5-9(6-8-11)13(14,15)12(3,4)10(16)17/h9H,5-8H2,1-4H3,(H2,16,17)
InChIKeySPBQXSUKNZVUNV-UHFFFAOYSA-N
XLogP3.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-amino-2-cyclopropylpropanamide
CID 93311323
(2S)-2-cyclohexyl-2-fluoropropanamide
CID 97455861
1-(4,4-dimethylcyclohexyl)-5,5,5-trifluoropentan-1-one
CID 115515912
1-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylate
CID 86703553
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
2-cyclopropyl-2-fluoro-3-methylbutanamide
CID 54154601
(1S)-2,2-dimethylcyclohexane-1-carboxamide
CID 90019535
4-(2,3-dimethylbutan-2-yl)-1,1-dimethylcyclohexane
CID 142139515
cis-(1S,2S)-1-amino-2-methyl-4-(trifluoromethyl)cyclohexane-1-carboxylic acid;hydrochloride
CID 67376517
N'-tert-butyl-4,4-dimethylcyclohexane-1-carboximidamide
CID 65392066
1-amino-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 22561606
3-amino-2,2,3-trimethylbutanamide
CID 65264733

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide (CID 90907861) is 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide is CC1(C)CCC(C(F)(F)C(C)(C)C(N)=O)CC1.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide?
The InChIKey is SPBQXSUKNZVUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c1-11(2)7-5-9(6-8-11)13(14,15)12(3,4)10(16)17/h9H,5-8H2,1-4H3,(H2,16,17).
What are the key properties of 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide?
3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide has a molecular weight of 247.33 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)-3,3-difluoro-2,2-dimethylpropanamide is sourced from PubChem (CID 90907861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).