1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

C11H15F3N2O — CID 61410278

IUPAC1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C11H15F3N2O/c1-16(7-6-11(12,13)14)9(17)10(8-15)4-2-3-5-10/h2-7H2,1H3
InChIKeyJJKBRRDBKMGTFO-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.48
Rot. Bonds3

About 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide

1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (PubChem CID 61410278) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
PubChem CID61410278
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide
SMILESCN(CCC(F)(F)F)C(=O)C1(C#N)CCCC1
InChIInChI=1S/C11H15F3N2O/c1-16(7-6-11(12,13)14)9(17)10(8-15)4-2-3-5-10/h2-7H2,1H3
InChIKeyJJKBRRDBKMGTFO-UHFFFAOYSA-N
XLogP2.48
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide (CID 61410278) is 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is CN(CCC(F)(F)F)C(=O)C1(C#N)CCCC1.
What is the InChIKey of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
The InChIKey is JJKBRRDBKMGTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16(7-6-11(12,13)14)9(17)10(8-15)4-2-3-5-10/h2-7H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide?
1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide has a molecular weight of 248.25 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(3,3,3-trifluoropropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 61410278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).