N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide

C10H16F3NO2 — CID 86790741

IUPACN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCN(CC(O)C(F)(F)F)C(=O)C1(C)CCC1
InChIInChI=1S/C10H16F3NO2/c1-9(4-3-5-9)8(16)14(2)6-7(15)10(11,12)13/h7,15H,3-6H2,1-2H3
InChIKeyLMRWHWMBEBYYNZ-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.56
Rot. Bonds3

About N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide

N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide (PubChem CID 86790741) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
PubChem CID86790741
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide
SMILESCN(CC(O)C(F)(F)F)C(=O)C1(C)CCC1
InChIInChI=1S/C10H16F3NO2/c1-9(4-3-5-9)8(16)14(2)6-7(15)10(11,12)13/h7,15H,3-6H2,1-2H3
InChIKeyLMRWHWMBEBYYNZ-UHFFFAOYSA-N
XLogP1.56
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The IUPAC name of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide (CID 86790741) is N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The canonical SMILES for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide is CN(CC(O)C(F)(F)F)C(=O)C1(C)CCC1.
What is the InChIKey of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
The InChIKey is LMRWHWMBEBYYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c1-9(4-3-5-9)8(16)14(2)6-7(15)10(11,12)13/h7,15H,3-6H2,1-2H3.
What are the key properties of N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide?
N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 86790741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).