N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide

C11H12F3NO — CID 161038604

IUPACN-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=CC=CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(6-3-7-10)15-9(16)8-4-1-2-5-8/h1-2,4H,3,5-7H2,(H,15,16)
InChIKeyUAOVTFDTLUDNAJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.47
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide

N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide (PubChem CID 161038604) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
PubChem CID161038604
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC NameN-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=CC=CC1
InChIInChI=1S/C11H12F3NO/c12-11(13,14)10(6-3-7-10)15-9(16)8-4-1-2-5-8/h1-2,4H,3,5-7H2,(H,15,16)
InChIKeyUAOVTFDTLUDNAJ-UHFFFAOYSA-N
XLogP2.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide (CID 161038604) is N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide is O=C(NC1(C(F)(F)F)CCC1)C1=CC=CC1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is UAOVTFDTLUDNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c12-11(13,14)10(6-3-7-10)15-9(16)8-4-1-2-5-8/h1-2,4H,3,5-7H2,(H,15,16).
What are the key properties of N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide?
N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 231.22 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(trifluoromethyl)cyclobutyl]cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 161038604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).