3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

C9H14F3NO3 — CID 79039443

IUPAC3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-7(14)13-6-8(15)1-3-16-4-2-8/h15H,1-6H2,(H,13,14)
InChIKeyQRXFCJNGUOANMW-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.60
Rot. Bonds3

About 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide

3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (PubChem CID 79039443) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
PubChem CID79039443
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC Name3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide
SMILESO=C(CC(F)(F)F)NCC1(O)CCOCC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)5-7(14)13-6-8(15)1-3-16-4-2-8/h15H,1-6H2,(H,13,14)
InChIKeyQRXFCJNGUOANMW-UHFFFAOYSA-N
XLogP0.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 79038939
N-[(4-hydroxyoxan-4-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 79039103
4,4,4-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]butanamide
CID 79039351
2,2,2-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 79039526
2-[(4-hydroxyoxan-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 81130106
4-[(2,2-Difluoroethylamino)methyl]oxan-4-ol
CID 81130270
2-amino-3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]-2-methylpropanamide
CID 81130377
4-[(3,3,3-Trifluoropropylamino)methyl]oxan-4-ol
CID 81130526
4-[(2,2,2-Trifluoroethylamino)methyl]oxan-4-ol
CID 81130528
4-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]oxan-4-ol
CID 81130704
4-[[2-(2,2,2-Trifluoroethoxy)ethylamino]methyl]oxan-4-ol
CID 81130959
4-[[2-(Trifluoromethoxy)ethylamino]methyl]oxan-4-ol
CID 81131136

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide (CID 79039443) is 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is O=C(CC(F)(F)F)NCC1(O)CCOCC1.
What is the InChIKey of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
The InChIKey is QRXFCJNGUOANMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)5-7(14)13-6-8(15)1-3-16-4-2-8/h15H,1-6H2,(H,13,14).
What are the key properties of 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide?
3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide has a molecular weight of 241.21 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(4-hydroxyoxan-4-yl)methyl]propanamide is sourced from PubChem (CID 79039443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).