2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide

C11H18F3NO2 — CID 103726470

IUPAC2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H18F3NO2/c1-9(2)7(10(9,3)4)8(17)15-5-6(16)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17)
InChIKeyMIAWBGGCUJUIKJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.71
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide (PubChem CID 103726470) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide
PubChem CID103726470
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide
SMILESCC1(C)C(C(=O)NCC(O)C(F)(F)F)C1(C)C
InChIInChI=1S/C11H18F3NO2/c1-9(2)7(10(9,3)4)8(17)15-5-6(16)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17)
InChIKeyMIAWBGGCUJUIKJ-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide (CID 103726470) is 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide is CC1(C)C(C(=O)NCC(O)C(F)(F)F)C1(C)C.
What is the InChIKey of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide?
The InChIKey is MIAWBGGCUJUIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-9(2)7(10(9,3)4)8(17)15-5-6(16)11(12,13)14/h6-7,16H,5H2,1-4H3,(H,15,17).
What are the key properties of 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 103726470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).