[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate

C16H17F3O3 — CID 168857159

IUPAC[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)OC[C@H]1CCC=CO1
InChIInChI=1S/C16H17F3O3/c17-16(18,19)13-7-4-12(5-8-13)6-9-15(20)22-11-14-3-1-2-10-21-14/h2,4-5,7-8,10,14H,1,3,6,9,11H2/t14-/m1/s1
InChIKeyFTNRHRDCPJHEQF-CQSZACIVSA-N
MW314.30 g/mol
LogP3.87
Rot. Bonds5

About [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate

[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate (PubChem CID 168857159) has the molecular formula C16H17F3O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate.

Molecular Properties

Compound Name[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate
PubChem CID168857159
Molecular FormulaC16H17F3O3
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Name[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate
SMILESO=C(CCc1ccc(C(F)(F)F)cc1)OC[C@H]1CCC=CO1
InChIInChI=1S/C16H17F3O3/c17-16(18,19)13-7-4-12(5-8-13)6-9-15(20)22-11-14-3-1-2-10-21-14/h2,4-5,7-8,10,14H,1,3,6,9,11H2/t14-/m1/s1
InChIKeyFTNRHRDCPJHEQF-CQSZACIVSA-N
XLogP3.87
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate?
The IUPAC name of [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate (CID 168857159) is [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate.
What is the SMILES notation for [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate?
The canonical SMILES for [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate is O=C(CCc1ccc(C(F)(F)F)cc1)OC[C@H]1CCC=CO1.
What is the InChIKey of [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate?
The InChIKey is FTNRHRDCPJHEQF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H17F3O3/c17-16(18,19)13-7-4-12(5-8-13)6-9-15(20)22-11-14-3-1-2-10-21-14/h2,4-5,7-8,10,14H,1,3,6,9,11H2/t14-/m1/s1.
What are the key properties of [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate?
[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate has a molecular weight of 314.30 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,4-dihydro-2H-pyran-2-yl]methyl 3-[4-(trifluoromethyl)phenyl]propanoate is sourced from PubChem (CID 168857159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).