2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide

C10H17F3N2O3 — CID 106298806

IUPAC2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide
SMILESCC(N)(C(=O)NC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(17)15-9(6-16)2-4-18-5-3-9/h16H,2-6,14H2,1H3,(H,15,17)
InChIKeyRMZJVZPFNRTDSG-UHFFFAOYSA-N
MW270.25 g/mol
LogP-0.08
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide (PubChem CID 106298806) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide
PubChem CID106298806
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide
SMILESCC(N)(C(=O)NC1(CO)CCOCC1)C(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(17)15-9(6-16)2-4-18-5-3-9/h16H,2-6,14H2,1H3,(H,15,17)
InChIKeyRMZJVZPFNRTDSG-UHFFFAOYSA-N
XLogP-0.08
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3,3,3-trifluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylpropanamide
CID 79811021
2-amino-3,3,3-trifluoro-N-[3-(hydroxymethyl)pentan-3-yl]-2-methylpropanamide
CID 79812216
N-[4-(hydroxymethyl)oxan-4-yl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103954179
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]propanamide
CID 103954388
2,2,2-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 104630606
N-[4-(hydroxymethyl)oxan-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104630718
2-amino-3,3,3-trifluoro-N-(1-hydroxy-3-methylpentan-3-yl)-2-methylpropanamide
CID 106176103
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 106297591
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide
CID 106297695
2,2-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]acetamide
CID 107168208
2-[[4-(hydroxymethyl)oxan-4-yl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 113231950
4,4,4-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]butanamide
CID 113435072

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide (CID 106298806) is 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide is CC(N)(C(=O)NC1(CO)CCOCC1)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide?
The InChIKey is RMZJVZPFNRTDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-8(14,10(11,12)13)7(17)15-9(6-16)2-4-18-5-3-9/h16H,2-6,14H2,1H3,(H,15,17).
What are the key properties of 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide has a molecular weight of 270.25 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylpropanamide is sourced from PubChem (CID 106298806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).