1-cyclobutyloxy-3-(trifluoromethyl)benzene

C11H11F3O — CID 124519367

IUPAC1-cyclobutyloxy-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(OC2CCC2)c1
InChIInChI=1S/C11H11F3O/c12-11(13,14)8-3-1-6-10(7-8)15-9-4-2-5-9/h1,3,6-7,9H,2,4-5H2
InChIKeyJBUPCFILKBXNKL-UHFFFAOYSA-N
MW216.20 g/mol
LogP3.64
Rot. Bonds2

About 1-cyclobutyloxy-3-(trifluoromethyl)benzene

1-cyclobutyloxy-3-(trifluoromethyl)benzene (PubChem CID 124519367) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-cyclobutyloxy-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-cyclobutyloxy-3-(trifluoromethyl)benzene
PubChem CID124519367
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name1-cyclobutyloxy-3-(trifluoromethyl)benzene
SMILESFC(F)(F)c1cccc(OC2CCC2)c1
InChIInChI=1S/C11H11F3O/c12-11(13,14)8-3-1-6-10(7-8)15-9-4-2-5-9/h1,3,6-7,9H,2,4-5H2
InChIKeyJBUPCFILKBXNKL-UHFFFAOYSA-N
XLogP3.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[3-(trifluoromethyl)phenoxy]oxane
CID 53217062
2-amino-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethanone
CID 66591548
(2R)-2-hydroxy-1-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]propan-1-one
CID 70722941
2-amino-2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]acetaldehyde;hydrochloride
CID 87187234
4-[2-[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]ethyl]cyclohexan-1-amine
CID 68903645
2,2,2-trifluoroacetic acid;3-[3-(trifluoromethyl)phenoxy]azetidine
CID 130472690
3-[3-(trifluoromethyl)phenoxy]piperidin-2-one
CID 138484952
3-[3-(2-fluoropropan-2-yl)phenoxy]piperidine
CID 115042136
2-[[4-[3-(trifluoromethyl)phenoxy]piperidin-1-yl]methyl]pyridine
CID 56886415
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
3-(3-tert-butylphenoxy)-N-methylcyclohexan-1-amine
CID 79618131
1-[iodo(phenyl)methyl]-3-[3-(trifluoromethyl)phenoxy]pyrrolidine
CID 70402426

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyloxy-3-(trifluoromethyl)benzene?
The IUPAC name of 1-cyclobutyloxy-3-(trifluoromethyl)benzene (CID 124519367) is 1-cyclobutyloxy-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-cyclobutyloxy-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-cyclobutyloxy-3-(trifluoromethyl)benzene is FC(F)(F)c1cccc(OC2CCC2)c1.
What is the InChIKey of 1-cyclobutyloxy-3-(trifluoromethyl)benzene?
The InChIKey is JBUPCFILKBXNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c12-11(13,14)8-3-1-6-10(7-8)15-9-4-2-5-9/h1,3,6-7,9H,2,4-5H2.
What are the key properties of 1-cyclobutyloxy-3-(trifluoromethyl)benzene?
1-cyclobutyloxy-3-(trifluoromethyl)benzene has a molecular weight of 216.20 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyloxy-3-(trifluoromethyl)benzene is sourced from PubChem (CID 124519367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).