N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide

C12H21F2NO2 — CID 171633100

IUPACN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIDXBJBNYFRXPRO-UHFFFAOYSA-N
MW249.30 g/mol
LogP2.35
Rot. Bonds4

About N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide

N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide (PubChem CID 171633100) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide
PubChem CID171633100
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC NameN-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide
SMILESCOCC(C)(C)C(=O)NC1CCC(F)(F)CC1
InChIInChI=1S/C12H21F2NO2/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16)
InChIKeyIDXBJBNYFRXPRO-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide (CID 171633100) is N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide is COCC(C)(C)C(=O)NC1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide?
The InChIKey is IDXBJBNYFRXPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c1-11(2,8-17-3)10(16)15-9-4-6-12(13,14)7-5-9/h9H,4-8H2,1-3H3,(H,15,16).
What are the key properties of N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide?
N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide has a molecular weight of 249.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-3-methoxy-2,2-dimethylpropanamide is sourced from PubChem (CID 171633100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).