4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

C10H16F3NO3 — CID 107302167

IUPAC4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCC1OCCC1(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7-9(16,4-5-17-7)6-14-8(15)2-3-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,15)
InChIKeyKYSWONNEVSZPDT-UHFFFAOYSA-N
MW255.24 g/mol
LogP0.99
Rot. Bonds4

About 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide

4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (PubChem CID 107302167) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
PubChem CID107302167
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide
SMILESCC1OCCC1(O)CNC(=O)CCC(F)(F)F
InChIInChI=1S/C10H16F3NO3/c1-7-9(16,4-5-17-7)6-14-8(15)2-3-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,15)
InChIKeyKYSWONNEVSZPDT-UHFFFAOYSA-N
XLogP0.99
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
CID 79039351
3-(2,2-difluoroethoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103525863
3,3,3-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848696
2,2,3,3-tetrafluoro-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 103848818
2,2,2-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849023
4,4,4-trifluoro-N-[(3-hydroxyoxolan-3-yl)methyl]butanamide
CID 103849084
3-[(1,1-Difluoropropan-2-ylamino)methyl]-2-methyloxolan-3-ol
CID 106100146
2-Methyl-3-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]oxolan-3-ol
CID 106100897
3-[(2-Fluoroethylamino)methyl]-2-methyloxolan-3-ol
CID 106100915
2-Methyl-3-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]oxolan-3-ol
CID 106100920
3-[(3-Fluoropropylamino)methyl]-2-methyloxolan-3-ol
CID 106100931
2-[(3-hydroxy-2-methyloxolan-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106100937

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide (CID 107302167) is 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is CC1OCCC1(O)CNC(=O)CCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
The InChIKey is KYSWONNEVSZPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-7-9(16,4-5-17-7)6-14-8(15)2-3-10(11,12)13/h7,16H,2-6H2,1H3,(H,14,15).
What are the key properties of 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide?
4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide has a molecular weight of 255.24 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]butanamide is sourced from PubChem (CID 107302167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).