N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide

C14H13F6NO — CID 121446764

IUPACN-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C14H13F6NO/c1-21(7-8-5-9(15)6-10(16)11(8)17)12(22)13(3-2-4-13)14(18,19)20/h5-6H,2-4,7H2,1H3
InChIKeyPSPFBXRXYPDHDJ-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.79
Rot. Bonds3

About N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide

N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide (PubChem CID 121446764) has the molecular formula C14H13F6NO and a molecular weight of 325.25 g/mol. Its IUPAC name is N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide
PubChem CID121446764
Molecular FormulaC14H13F6NO
Molecular Weight325.25 g/mol
Exact Mass325.09
IUPAC NameN-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide
SMILESCN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1
InChIInChI=1S/C14H13F6NO/c1-21(7-8-5-9(15)6-10(16)11(8)17)12(22)13(3-2-4-13)14(18,19)20/h5-6H,2-4,7H2,1H3
InChIKeyPSPFBXRXYPDHDJ-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide?
The IUPAC name of N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide (CID 121446764) is N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide.
What is the SMILES notation for N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide?
The canonical SMILES for N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide is CN(Cc1cc(F)cc(F)c1F)C(=O)C1(C(F)(F)F)CCC1.
What is the InChIKey of N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide?
The InChIKey is PSPFBXRXYPDHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F6NO/c1-21(7-8-5-9(15)6-10(16)11(8)17)12(22)13(3-2-4-13)14(18,19)20/h5-6H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide?
N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide has a molecular weight of 325.25 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(trifluoromethyl)-N-[(2,3,5-trifluorophenyl)methyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 121446764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).