3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide

C10H13F6NO3 — CID 106297695

IUPAC3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide
SMILESO=C(NC1(CO)CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c11-9(12,13)6(10(14,15)16)7(19)17-8(5-18)1-3-20-4-2-8/h6,18H,1-5H2,(H,17,19)
InChIKeyDQHVSJDLNAUJKT-UHFFFAOYSA-N
MW309.21 g/mol
LogP1.38
Rot. Bonds3

About 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide

3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide (PubChem CID 106297695) has the molecular formula C10H13F6NO3 and a molecular weight of 309.21 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide
PubChem CID106297695
Molecular FormulaC10H13F6NO3
Molecular Weight309.21 g/mol
Exact Mass309.08
IUPAC Name3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide
SMILESO=C(NC1(CO)CCOCC1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H13F6NO3/c11-9(12,13)6(10(14,15)16)7(19)17-8(5-18)1-3-20-4-2-8/h6,18H,1-5H2,(H,17,19)
InChIKeyDQHVSJDLNAUJKT-UHFFFAOYSA-N
XLogP1.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide (CID 106297695) is 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide is O=C(NC1(CO)CCOCC1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide?
The InChIKey is DQHVSJDLNAUJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6NO3/c11-9(12,13)6(10(14,15)16)7(19)17-8(5-18)1-3-20-4-2-8/h6,18H,1-5H2,(H,17,19).
What are the key properties of 3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide?
3,3,3-trifluoro-N-[4-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide has a molecular weight of 309.21 g/mol, XLogP of 1.38, 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-(hydroxymethyl)oxan-4-yl]-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 106297695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).