3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide

C11H18F3NO2 — CID 164821544

IUPAC3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-6(2)7(3)15-9(16)8-4-10(17,5-8)11(12,13)14/h6-8,17H,4-5H2,1-3H3,(H,15,16)/t7-,8?,10?/m1/s1
InChIKeyVVHDELOLNWUKFY-ZNFPMYQNSA-N
MW253.26 g/mol
LogP1.85
Rot. Bonds3

About 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide

3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 164821544) has the molecular formula C11H18F3NO2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID164821544
Molecular FormulaC11H18F3NO2
Molecular Weight253.26 g/mol
Exact Mass253.13
IUPAC Name3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCC(C)[C@@H](C)NC(=O)C1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C11H18F3NO2/c1-6(2)7(3)15-9(16)8-4-10(17,5-8)11(12,13)14/h6-8,17H,4-5H2,1-3H3,(H,15,16)/t7-,8?,10?/m1/s1
InChIKeyVVHDELOLNWUKFY-ZNFPMYQNSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide (CID 164821544) is 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide is CC(C)[C@@H](C)NC(=O)C1CC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is VVHDELOLNWUKFY-ZNFPMYQNSA-N. The full InChI is InChI=1S/C11H18F3NO2/c1-6(2)7(3)15-9(16)8-4-10(17,5-8)11(12,13)14/h6-8,17H,4-5H2,1-3H3,(H,15,16)/t7-,8?,10?/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide?
3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 253.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-3-methylbutan-2-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 164821544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).