N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

C12H20F3NO2 — CID 79200378

IUPACN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H20F3NO2/c1-8(17)3-6-11(18)16(7-12(13,14)15)9(2)10-4-5-10/h8-10,17H,3-7H2,1-2H3
InChIKeyWKASFSJHJORTQN-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds6

About N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide

N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 79200378) has the molecular formula C12H20F3NO2 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID79200378
Molecular FormulaC12H20F3NO2
Molecular Weight267.29 g/mol
Exact Mass267.14
IUPAC NameN-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C12H20F3NO2/c1-8(17)3-6-11(18)16(7-12(13,14)15)9(2)10-4-5-10/h8-10,17H,3-7H2,1-2H3
InChIKeyWKASFSJHJORTQN-UHFFFAOYSA-N
XLogP2.34
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2S)-2-(difluoromethyl)-N-(3-hydroxycyclobutyl)-N-methylcyclopropane-1-carboxamide
CID 137955607
Cyclopropyl-[4-(2,2,2-trifluoro-1-hydroxyethyl)piperidin-1-yl]methanone
CID 67404025
(2S,4R)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134905813
(2S,4S)-4-hydroxy-2,5-dimethyl-N,N-di(propan-2-yl)hexanamide
CID 134975617
4,4,4-trifluoro-N-[(3-hydroxycyclobutyl)methyl]-N-methylbutanamide
CID 65995137
N-ethyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192199
4-hydroxy-N-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 79192272
N-cyclopropyl-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79192363
4-Hydroxy-1-[4-(trifluoromethyl)piperidin-1-yl]pentan-1-one
CID 79192411
N-(1-cyclopropylethyl)-5-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 79193338
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)butanamide
CID 79200377
4-hydroxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 79204052

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide (CID 79200378) is N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is CC(O)CCC(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is WKASFSJHJORTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO2/c1-8(17)3-6-11(18)16(7-12(13,14)15)9(2)10-4-5-10/h8-10,17H,3-7H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide?
N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-4-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 79200378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).