2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid

C10H16F3NO3 — CID 102659292

IUPAC2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-9(17-5-8(15)16)6-14(7-9)4-2-3-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyWZHVQANZPDXYPE-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.50
Rot. Bonds6

About 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid

2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid (PubChem CID 102659292) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid
PubChem CID102659292
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid
SMILESCC1(OCC(=O)O)CN(CCCC(F)(F)F)C1
InChIInChI=1S/C10H16F3NO3/c1-9(17-5-8(15)16)6-14(7-9)4-2-3-10(11,12)13/h2-7H2,1H3,(H,15,16)
InChIKeyWZHVQANZPDXYPE-UHFFFAOYSA-N
XLogP1.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,2,2-Trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 137480135
2-[(3-Fluoro-1-propan-2-ylazetidin-2-yl)methoxy]acetic acid
CID 139341842
2-[1-(1,2,2-Trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 175533813
2-[3-Methyl-1-(3,3,3-trifluoropropanoyl)azetidin-3-yl]oxyacetic acid
CID 102657306
2-{[3-Methyl-1-(2,2,2-trifluoroacetyl)azetidin-3-yl]oxy}acetic acid
CID 102657501
2-[3-Methyl-1-(2,2,2-trifluoroethoxycarbonyl)azetidin-3-yl]oxyacetic acid
CID 102657697
2-[3-Methyl-1-(2,2,2-trifluoroethyl)azetidin-3-yl]oxyacetic acid
CID 102659264
2-[3-Methyl-1-[2-(trifluoromethylsulfanyl)ethyl]azetidin-3-yl]oxyacetic acid
CID 102659300
2-[3-Methyl-1-(3,3,3-trifluoropropyl)azetidin-3-yl]oxyacetic acid
CID 102659359
2-[1-(3-Fluoropropyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659379
2-[3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]azetidin-3-yl]oxyacetic acid
CID 102659436
2-[1-(2-Fluoroethyl)-3-methylazetidin-3-yl]oxyacetic acid
CID 102659451

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid?
The IUPAC name of 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid (CID 102659292) is 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid is CC1(OCC(=O)O)CN(CCCC(F)(F)F)C1.
What is the InChIKey of 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid?
The InChIKey is WZHVQANZPDXYPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-9(17-5-8(15)16)6-14(7-9)4-2-3-10(11,12)13/h2-7H2,1H3,(H,15,16).
What are the key properties of 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid?
2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid has a molecular weight of 255.24 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-(4,4,4-trifluorobutyl)azetidin-3-yl]oxyacetic acid is sourced from PubChem (CID 102659292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).