2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid

C15H16F3NO5 — CID 167836632

IUPAC2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO5/c16-15(17,18)11-7-23-6-5-12(11)19-14(22)9-1-3-10(4-2-9)24-8-13(20)21/h1-4,11-12H,5-8H2,(H,19,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyFYTSLDZVSMFXSP-NWDGAFQWSA-N
MW347.29 g/mol
LogP1.85
Rot. Bonds5

About 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid

2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid (PubChem CID 167836632) has the molecular formula C15H16F3NO5 and a molecular weight of 347.29 g/mol. Its IUPAC name is 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
PubChem CID167836632
Molecular FormulaC15H16F3NO5
Molecular Weight347.29 g/mol
Exact Mass347.10
IUPAC Name2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO5/c16-15(17,18)11-7-23-6-5-12(11)19-14(22)9-1-3-10(4-2-9)24-8-13(20)21/h1-4,11-12H,5-8H2,(H,19,22)(H,20,21)/t11-,12+/m0/s1
InChIKeyFYTSLDZVSMFXSP-NWDGAFQWSA-N
XLogP1.85
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[4-[(4-methoxycyclohexyl)carbamoyl]phenoxy]acetic acid
CID 136556476
4-[(3S,4R)-4-[(2-ethylpyrimidine-5-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91791344
4-[(3S,4R)-4-(4,4,4-trifluorobutanoylamino)oxan-3-yl]oxybenzoic acid
CID 91779540
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459
N-(3-ethoxyoxan-4-yl)-4-(4-methoxyphenoxy)benzamide
CID 156608381
2-[4-(oxane-4-carbonylamino)phenoxy]acetic acid
CID 62033736
N-[(3R,4S)-4-(2-amino-2-oxoethoxy)oxan-3-yl]-4-fluorobenzamide
CID 91767703
4-[(3S,4R)-4-[[4-(hydroxymethyl)pyridine-2-carbonyl]amino]oxan-3-yl]oxybenzoic acid
CID 91774592
N-[(3S,4R)-3-(4-carbamoylphenoxy)oxan-4-yl]-2-methylpyrimidine-5-carboxamide
CID 91770875
2-[(3S,4R)-4-[(3-chloro-4-propoxybenzoyl)amino]oxan-3-yl]oxyacetic acid
CID 91796162
4-[(3S,4R)-4-[(2,5-dimethylfuran-3-carbonyl)amino]oxan-3-yl]oxybenzoic acid
CID 91796230
4-[(3R,4R)-3-[[2-(methanesulfonamido)acetyl]amino]oxan-4-yl]oxybenzoic acid
CID 91765912

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid (CID 167836632) is 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1ccc(C(=O)N[C@@H]2CCOC[C@@H]2C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
The InChIKey is FYTSLDZVSMFXSP-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H16F3NO5/c16-15(17,18)11-7-23-6-5-12(11)19-14(22)9-1-3-10(4-2-9)24-8-13(20)21/h1-4,11-12H,5-8H2,(H,19,22)(H,20,21)/t11-,12+/m0/s1.
What are the key properties of 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid?
2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid has a molecular weight of 347.29 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(3R,4R)-3-(trifluoromethyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 167836632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).