N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

C11H19F3N2O2 — CID 113376269

IUPACN-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-7(5-8(2)17)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyVTJKAGCICQQOFO-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.80
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide

N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (PubChem CID 113376269) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
PubChem CID113376269
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
SMILESCC(O)CC(C)NC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C11H19F3N2O2/c1-7(5-8(2)17)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18)
InChIKeyVTJKAGCICQQOFO-UHFFFAOYSA-N
XLogP0.80
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(dimethylamino)propan-2-yl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 82945350
N-(4-methoxybutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 64605661
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106161551
(2R)-3-hydroxy-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 80749492
N-[2-(dimethylamino)propyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63710060
N-(2,2-difluoroethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 115406927
3-(trifluoromethyl)pyrrolidine-3-carbohydrazide
CID 63992790
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 105417276
(2S)-2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]pentanedioic acid
CID 63710248
N-[(1S)-1-(4-bromophenyl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81352100
N-[(1R)-1-pyridin-4-ylethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 81409905
N-methylsulfonyl-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 103287344

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide (CID 113376269) is N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is CC(O)CC(C)NC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
The InChIKey is VTJKAGCICQQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-7(5-8(2)17)16-9(18)10(11(12,13)14)3-4-15-6-10/h7-8,15,17H,3-6H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide?
N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113376269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).