3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

C11H16F3NO3 — CID 62272148

IUPAC3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-15(8-1-2-8)5-10(9(16)17)3-4-18-7-10/h8H,1-7H2,(H,16,17)
InChIKeyYRNJVJWVJQYGKY-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.50
Rot. Bonds5

About 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid

3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (PubChem CID 62272148) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
PubChem CID62272148
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
SMILESO=C(O)C1(CN(CC(F)(F)F)C2CC2)CCOC1
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)6-15(8-1-2-8)5-10(9(16)17)3-4-18-7-10/h8H,1-7H2,(H,16,17)
InChIKeyYRNJVJWVJQYGKY-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 55055360
3-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62270137
3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271590
3-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid
CID 62271963
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
CID 62390659
3-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]oxolane-3-carboxylic acid
CID 62967578
3-[[Methyl(3,3,3-trifluoropropyl)amino]methyl]oxolane-3-carboxylic acid
CID 65531849
4-[Methyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
CID 115514689
4-[Ethyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
CID 115514690
4-[Propyl(4,4,4-trifluorobutyl)amino]oxolane-3-carboxylic acid
CID 115514691
3-[[2,2-Difluoroethyl(methyl)amino]methyl]oxolane-3-carboxylic acid
CID 116317743
3-[(3-Fluoropyrrolidin-1-yl)methyl]oxolane-3-carboxylic acid
CID 164659342

Frequently Asked Questions

What is the IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid (CID 62272148) is 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is O=C(O)C1(CN(CC(F)(F)F)C2CC2)CCOC1.
What is the InChIKey of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
The InChIKey is YRNJVJWVJQYGKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)6-15(8-1-2-8)5-10(9(16)17)3-4-18-7-10/h8H,1-7H2,(H,16,17).
What are the key properties of 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid?
3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 62272148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).