1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene

C12H12F4O — CID 155024076

IUPAC1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1COC1CCC1
InChIInChI=1S/C12H12F4O/c13-11-6-9(12(14,15)16)5-4-8(11)7-17-10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyMFQRNHYDXXAPIH-UHFFFAOYSA-N
MW248.22 g/mol
LogP3.91
Rot. Bonds3

About 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene

1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene (PubChem CID 155024076) has the molecular formula C12H12F4O and a molecular weight of 248.22 g/mol. Its IUPAC name is 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
PubChem CID155024076
Molecular FormulaC12H12F4O
Molecular Weight248.22 g/mol
Exact Mass248.08
IUPAC Name1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene
SMILESFc1cc(C(F)(F)F)ccc1COC1CCC1
InChIInChI=1S/C12H12F4O/c13-11-6-9(12(14,15)16)5-4-8(11)7-17-10-2-1-3-10/h4-6,10H,1-3,7H2
InChIKeyMFQRNHYDXXAPIH-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.22
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]piperidine
CID 68521915
4-(cyclobutyloxymethyl)-3-fluoroaniline
CID 64768897
3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carboxylic acid
CID 131964994
2-fluoro-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxymethyl]-4-(trifluoromethyl)benzene
CID 142793986
tert-butyl 3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]pyrrolidine-1-carboxylate;ethane
CID 166100948
N-[1-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidine-1-carbonyl]azetidin-3-yl]acetamide
CID 175974890
[(4aR,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]methanone
CID 159059374
2-(cyclobutyloxymethyl)-5-fluoroaniline
CID 64768837
2-bromo-1-(cyclobutyloxymethyl)-4-fluorobenzene
CID 62142376
[3-[[2-fluoro-4-(trifluoromethyl)phenyl]methoxy]azetidin-1-yl]-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 170636429
3-fluoro-4-[(3-methylcyclohexyl)oxymethyl]aniline
CID 64768691
4-bromo-2-fluoro-1-[(3-methylcyclohexyl)oxymethyl]benzene
CID 63458710

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene?
The IUPAC name of 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene (CID 155024076) is 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene is Fc1cc(C(F)(F)F)ccc1COC1CCC1.
What is the InChIKey of 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene?
The InChIKey is MFQRNHYDXXAPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F4O/c13-11-6-9(12(14,15)16)5-4-8(11)7-17-10-2-1-3-10/h4-6,10H,1-3,7H2.
What are the key properties of 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene?
1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene has a molecular weight of 248.22 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutyloxymethyl)-2-fluoro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 155024076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).