N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C9H14F3NO3 — CID 103857568

IUPACN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13(2-3-14)8(15)7-1-4-16-5-7/h7,14H,1-6H2
InChIKeyBRKPLHJXXAVJKC-UHFFFAOYSA-N
MW241.21 g/mol
LogP0.41
Rot. Bonds4

About N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 103857568) has the molecular formula C9H14F3NO3 and a molecular weight of 241.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID103857568
Molecular FormulaC9H14F3NO3
Molecular Weight241.21 g/mol
Exact Mass241.09
IUPAC NameN-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESO=C(C1CCOC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C9H14F3NO3/c10-9(11,12)6-13(2-3-14)8(15)7-1-4-16-5-7/h7,14H,1-6H2
InChIKeyBRKPLHJXXAVJKC-UHFFFAOYSA-N
XLogP0.41
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 103857568) is N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is O=C(C1CCOC1)N(CCO)CC(F)(F)F.
What is the InChIKey of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is BRKPLHJXXAVJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO3/c10-9(11,12)6-13(2-3-14)8(15)7-1-4-16-5-7/h7,14H,1-6H2.
What are the key properties of N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 241.21 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 103857568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).