N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O2 — CID 66089271

IUPACN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2-5-17)6-16-9(18)10(11(12,13)14)3-4-15-7-10/h8,15,17H,2-7H2,1H3,(H,16,18)
InChIKeyCVVCFZZVIJUKOU-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.66
Rot. Bonds5

About N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 66089271) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID66089271
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-8(2-5-17)6-16-9(18)10(11(12,13)14)3-4-15-7-10/h8,15,17H,2-7H2,1H3,(H,16,18)
InChIKeyCVVCFZZVIJUKOU-UHFFFAOYSA-N
XLogP0.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 66089271) is N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(CCO)CNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is CVVCFZZVIJUKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-8(2-5-17)6-16-9(18)10(11(12,13)14)3-4-15-7-10/h8,15,17H,2-7H2,1H3,(H,16,18).
What are the key properties of N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylbutyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 66089271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).