4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide

C11H13F3N2O2 — CID 103750220

IUPAC4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)NC2(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(1-2-10)16-8(17)9(7-15)3-5-18-6-4-9/h1-6H2,(H,16,17)
InChIKeyBFCFYRQNIDWQRS-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.52
Rot. Bonds2

About 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide

4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide (PubChem CID 103750220) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
PubChem CID103750220
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide
SMILESN#CC1(C(=O)NC2(C(F)(F)F)CC2)CCOCC1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)10(1-2-10)16-8(17)9(7-15)3-5-18-6-4-9/h1-6H2,(H,16,17)
InChIKeyBFCFYRQNIDWQRS-UHFFFAOYSA-N
XLogP1.52
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide?
The IUPAC name of 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide (CID 103750220) is 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide.
What is the SMILES notation for 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide?
The canonical SMILES for 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide is N#CC1(C(=O)NC2(C(F)(F)F)CC2)CCOCC1.
What is the InChIKey of 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide?
The InChIKey is BFCFYRQNIDWQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)10(1-2-10)16-8(17)9(7-15)3-5-18-6-4-9/h1-6H2,(H,16,17).
What are the key properties of 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide?
4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide has a molecular weight of 262.23 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[1-(trifluoromethyl)cyclopropyl]oxane-4-carboxamide is sourced from PubChem (CID 103750220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).