oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate

C16H17F3O3 — CID 102558626

IUPACoxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate
SMILESO=C(OC1CCOC1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H17F3O3/c17-16(18,19)12-4-1-3-11(9-12)15(6-2-7-15)14(20)22-13-5-8-21-10-13/h1,3-4,9,13H,2,5-8,10H2
InChIKeyYLFDUNUOJZHHHF-UHFFFAOYSA-N
MW314.30 g/mol
LogP3.46
Rot. Bonds3

About oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate

oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate (PubChem CID 102558626) has the molecular formula C16H17F3O3 and a molecular weight of 314.30 g/mol. Its IUPAC name is oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameoxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate
PubChem CID102558626
Molecular FormulaC16H17F3O3
Molecular Weight314.30 g/mol
Exact Mass314.11
IUPAC Nameoxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate
SMILESO=C(OC1CCOC1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C16H17F3O3/c17-16(18,19)12-4-1-3-11(9-12)15(6-2-7-15)14(20)22-13-5-8-21-10-13/h1,3-4,9,13H,2,5-8,10H2
InChIKeyYLFDUNUOJZHHHF-UHFFFAOYSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
N-(1,4-dioxaspiro[4.5]decan-8-yl)-1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 99811328
oxolan-3-yl 5-[3-(trifluoromethyl)phenyl]furan-2-carboxylate
CID 86897204
[3-(trifluoromethyl)phenyl]methyl 2-[(3S)-oxolan-3-yl]oxyacetate
CID 166323892
4-methoxycarbonyl-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate
CID 152780099
piperidin-1-yl-[1-[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]piperidin-4-yl]methanone
CID 55997592
[(3R)-oxolan-3-yl] 2-nitro-4-(trifluoromethyl)benzoate
CID 96519556
N-piperidin-4-yl-1-[3-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 119387498
(1S,4R,5R)-4-[3-(trifluoromethyl)phenyl]-2-oxabicyclo[2.1.1]hexane-5-carboxylic acid
CID 178190201
2-[3-(trifluoromethyl)phenyl]oxetane-2-carboxylic acid
CID 117258800
[4-(methylamino)piperidin-1-yl]-[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methanone
CID 119561328
N-methylsulfonyl-1-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 146154637

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate?
The IUPAC name of oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate (CID 102558626) is oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate.
What is the SMILES notation for oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate?
The canonical SMILES for oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate is O=C(OC1CCOC1)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate?
The InChIKey is YLFDUNUOJZHHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3O3/c17-16(18,19)12-4-1-3-11(9-12)15(6-2-7-15)14(20)22-13-5-8-21-10-13/h1,3-4,9,13H,2,5-8,10H2.
What are the key properties of oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate?
oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate has a molecular weight of 314.30 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 1-[3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylate is sourced from PubChem (CID 102558626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).