6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole

C14H14F3NO3 — CID 15396777

IUPAC6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole
SMILESFC(F)(F)C12ON=CC1CCC(OCc1ccccc1)O2
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)13-11(8-18-21-13)6-7-12(20-13)19-9-10-4-2-1-3-5-10/h1-5,8,11-12H,6-7,9H2
InChIKeyBQVPMXIZJZKWKU-UHFFFAOYSA-N
MW301.26 g/mol
LogP3.23
Rot. Bonds3

About 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole

6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole (PubChem CID 15396777) has the molecular formula C14H14F3NO3 and a molecular weight of 301.26 g/mol. Its IUPAC name is 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole.

Molecular Properties

Compound Name6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole
PubChem CID15396777
Molecular FormulaC14H14F3NO3
Molecular Weight301.26 g/mol
Exact Mass301.09
IUPAC Name6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole
SMILESFC(F)(F)C12ON=CC1CCC(OCc1ccccc1)O2
InChIInChI=1S/C14H14F3NO3/c15-14(16,17)13-11(8-18-21-13)6-7-12(20-13)19-9-10-4-2-1-3-5-10/h1-5,8,11-12H,6-7,9H2
InChIKeyBQVPMXIZJZKWKU-UHFFFAOYSA-N
XLogP3.23
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2S)-oxan-2-yl]oxy-N-phenylmethoxyethanimine
CID 134863091
(NE)-N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
CID 135386446
N-[[(4S)-2-phenyl-1,3-dioxan-4-yl]methylidene]hydroxylamine
CID 135386447
3-(oxan-2-yloxy)-N-phenylmethoxypropan-1-imine
CID 15246410

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole?
The IUPAC name of 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole (CID 15396777) is 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole.
What is the SMILES notation for 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole?
The canonical SMILES for 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole is FC(F)(F)C12ON=CC1CCC(OCc1ccccc1)O2.
What is the InChIKey of 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole?
The InChIKey is BQVPMXIZJZKWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO3/c15-14(16,17)13-11(8-18-21-13)6-7-12(20-13)19-9-10-4-2-1-3-5-10/h1-5,8,11-12H,6-7,9H2.
What are the key properties of 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole?
6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole has a molecular weight of 301.26 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-7a-(trifluoromethyl)-3a,4,5,6-tetrahydropyrano[3,2-d][1,2]oxazole is sourced from PubChem (CID 15396777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).