N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide

C14H12F3NO — CID 141293234

IUPACN-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=C2C=CC=C2C=C1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(7-2-8-13)18-12(19)11-6-5-9-3-1-4-10(9)11/h1,3-6H,2,7-8H2,(H,18,19)
InChIKeyNVZMDDVZEBQUHU-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.95
Rot. Bonds2

About N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide

N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide (PubChem CID 141293234) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
PubChem CID141293234
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC NameN-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide
SMILESO=C(NC1(C(F)(F)F)CCC1)C1=C2C=CC=C2C=C1
InChIInChI=1S/C14H12F3NO/c15-14(16,17)13(7-2-8-13)18-12(19)11-6-5-9-3-1-4-10(9)11/h1,3-6H,2,7-8H2,(H,18,19)
InChIKeyNVZMDDVZEBQUHU-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.95
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]pentalene-1-carboxamide?
The IUPAC name of N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide (CID 141293234) is N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide.
What is the SMILES notation for N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide?
The canonical SMILES for N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide is O=C(NC1(C(F)(F)F)CCC1)C1=C2C=CC=C2C=C1.
What is the InChIKey of N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide?
The InChIKey is NVZMDDVZEBQUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c15-14(16,17)13(7-2-8-13)18-12(19)11-6-5-9-3-1-4-10(9)11/h1,3-6H,2,7-8H2,(H,18,19).
What are the key properties of N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide?
N-[1-(trifluoromethyl)cyclobutyl]pentalene-1-carboxamide has a molecular weight of 267.25 g/mol, XLogP of 2.95, 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]pentalene-1-carboxamide is sourced from PubChem (CID 141293234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).