9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide

C20H35F2NO — CID 139473673

IUPAC9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide
SMILESCC(CCC(CCC(C)C1CC1)C1CC(F)(F)C1)CC(=O)N(C)C
InChIInChI=1S/C20H35F2NO/c1-14(11-19(24)23(3)4)5-7-17(18-12-20(21,22)13-18)8-6-15(2)16-9-10-16/h14-18H,5-13H2,1-4H3
InChIKeyIOHNLLGSBZINGE-UHFFFAOYSA-N
MW343.50 g/mol
LogP5.37
Rot. Bonds10

About 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide

9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide (PubChem CID 139473673) has the molecular formula C20H35F2NO and a molecular weight of 343.50 g/mol. Its IUPAC name is 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide.

Molecular Properties

Compound Name9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide
PubChem CID139473673
Molecular FormulaC20H35F2NO
Molecular Weight343.50 g/mol
Exact Mass343.27
IUPAC Name9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide
SMILESCC(CCC(CCC(C)C1CC1)C1CC(F)(F)C1)CC(=O)N(C)C
InChIInChI=1S/C20H35F2NO/c1-14(11-19(24)23(3)4)5-7-17(18-12-20(21,22)13-18)8-6-15(2)16-9-10-16/h14-18H,5-13H2,1-4H3
InChIKeyIOHNLLGSBZINGE-UHFFFAOYSA-N
XLogP5.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.50
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide?
The IUPAC name of 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide (CID 139473673) is 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide.
What is the SMILES notation for 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide?
The canonical SMILES for 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide is CC(CCC(CCC(C)C1CC1)C1CC(F)(F)C1)CC(=O)N(C)C.
What is the InChIKey of 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide?
The InChIKey is IOHNLLGSBZINGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35F2NO/c1-14(11-19(24)23(3)4)5-7-17(18-12-20(21,22)13-18)8-6-15(2)16-9-10-16/h14-18H,5-13H2,1-4H3.
What are the key properties of 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide?
9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide has a molecular weight of 343.50 g/mol, XLogP of 5.37, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-(3,3-difluorocyclobutyl)-N,N,3-trimethyldecanamide is sourced from PubChem (CID 139473673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).