4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid

C10H16F3NO3 — CID 62392740

IUPAC4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)6-9(8(15)16)2-4-17-5-3-9/h2-7H2,1H3,(H,15,16)
InChIKeyPMABVOJVXCMDDB-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.36
Rot. Bonds4

About 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid

4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid (PubChem CID 62392740) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
PubChem CID62392740
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
SMILESCN(CC(F)(F)F)CC1(C(=O)O)CCOCC1
InChIInChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)6-9(8(15)16)2-4-17-5-3-9/h2-7H2,1H3,(H,15,16)
InChIKeyPMABVOJVXCMDDB-UHFFFAOYSA-N
XLogP1.36
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
CID 55066957
4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxylic acid
CID 55176800
4-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
CID 62390483
4-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
CID 62390659
4-[[Propyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid
CID 62390835
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]oxane-4-carboxylic acid
CID 62967587
4-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxylic acid
CID 63126135
4-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine-4-carboxylic acid
CID 63127047
4,4,4-Trifluoro-3-[methyl(oxan-4-ylmethyl)amino]butanoic acid
CID 63707539
1-(Oxan-4-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709825
3-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]oxolane-3-carboxylic acid
CID 65530494
4-[[4-(Trifluoromethyl)piperidin-1-yl]methyl]oxane-4-carboxylic acid
CID 65530690

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid?
The IUPAC name of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid (CID 62392740) is 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid?
The canonical SMILES for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid is CN(CC(F)(F)F)CC1(C(=O)O)CCOCC1.
What is the InChIKey of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid?
The InChIKey is PMABVOJVXCMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-14(7-10(11,12)13)6-9(8(15)16)2-4-17-5-3-9/h2-7H2,1H3,(H,15,16).
What are the key properties of 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid?
4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid has a molecular weight of 255.24 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxane-4-carboxylic acid is sourced from PubChem (CID 62392740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).