4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide

C10H16F3NO2 — CID 114751517

IUPAC4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(CCO)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)2-1-8(16)14-7-9(3-4-9)5-6-15/h15H,1-7H2,(H,14,16)
InChIKeyRWSLUTSCPRWELA-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.61
Rot. Bonds6

About 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide

4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide (PubChem CID 114751517) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide
PubChem CID114751517
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide
SMILESO=C(CCC(F)(F)F)NCC1(CCO)CC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)2-1-8(16)14-7-9(3-4-9)5-6-15/h15H,1-7H2,(H,14,16)
InChIKeyRWSLUTSCPRWELA-UHFFFAOYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-diethyl-4-hydroxybutyl)-2-methylcyclopropane-1-carboxamide
CID 71917016
4,4,4-trifluoro-N-(4-hydroxy-2-methylbutyl)butanamide
CID 66107979
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoropropanamide
CID 80308123
N-(2-ethyl-4-hydroxybutyl)-4,4,4-trifluorobutanamide
CID 80308442
N-(2-ethyl-4-hydroxybutyl)-2,2,2-trifluoroacetamide
CID 80308620
4,4,4-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]butanamide
CID 80716729
3,3,3-trifluoro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]propanamide
CID 80716737
N-(2-ethyl-4-hydroxybutyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310215
3,3,3-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-(trifluoromethyl)propanamide
CID 103310246
N-(2-ethyl-4-hydroxybutyl)-2,2-difluoroacetamide
CID 103513968
2,2-difluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 103514010
N-(2-ethyl-4-hydroxybutyl)-2,2,3,3-tetrafluoropropanamide
CID 103771914

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide (CID 114751517) is 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide is O=C(CCC(F)(F)F)NCC1(CCO)CC1.
What is the InChIKey of 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide?
The InChIKey is RWSLUTSCPRWELA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)2-1-8(16)14-7-9(3-4-9)5-6-15/h15H,1-7H2,(H,14,16).
What are the key properties of 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide?
4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide has a molecular weight of 239.24 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]butanamide is sourced from PubChem (CID 114751517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).