N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide

C9H14F3NO3 — CID 103726382

IUPACN-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)4-13-8(15)6-2-1-3-16-5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyVQSPISHYRKBMBE-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.45
Rot. Bonds3

About N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide

N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide (PubChem CID 103726382) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide
PubChem CID103726382
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)C1CCCOC1
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)7(14)4-13-8(15)6-2-1-3-16-5-6/h6-7,14H,1-5H2,(H,13,15)
InChIKeyVQSPISHYRKBMBE-UHFFFAOYSA-N
XLogP0.45
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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide (CID 103726382) is N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide is O=C(NCC(O)C(F)(F)F)C1CCCOC1.
What is the InChIKey of N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide?
The InChIKey is VQSPISHYRKBMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)7(14)4-13-8(15)6-2-1-3-16-5-6/h6-7,14H,1-5H2,(H,13,15).
What are the key properties of N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide?
N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-2-hydroxypropyl)oxane-3-carboxamide is sourced from PubChem (CID 103726382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).