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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Related Compounds

N,2-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 86790736
1-[3-(Hydroxymethyl)pyrrolidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 62372896
4-(Hydroxymethyl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrolidin-2-one
CID 64209631
2-[Oxolane-3-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257816
(2S,3S)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
CID 99854778
(2S,3R)-N,2-dimethyl-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]oxolane-3-carboxamide
CID 99854780
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 102677269
3-(2,2-Difluoroethoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 103209043
N-(3,3,3-trifluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103726200
N-(3,3-difluoro-2-hydroxypropyl)oxolane-3-carboxamide
CID 103769816
N-(2,2-difluoro-3-hydroxypropyl)oxolane-3-carboxamide
CID 104857929
1-[2-(2,2-Difluoroethoxy)ethyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 105919224

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).