4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane

C13H14F4O2 — CID 156750193

IUPAC4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane
SMILESCOc1c(C2COC(C(F)(F)F)C2)ccc(F)c1C
InChIInChI=1S/C13H14F4O2/c1-7-10(14)4-3-9(12(7)18-2)8-5-11(19-6-8)13(15,16)17/h3-4,8,11H,5-6H2,1-2H3
InChIKeyCZZNXUMKJOBWBF-UHFFFAOYSA-N
MW278.25 g/mol
LogP3.58
Rot. Bonds2

About 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane

4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane (PubChem CID 156750193) has the molecular formula C13H14F4O2 and a molecular weight of 278.25 g/mol. Its IUPAC name is 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane
PubChem CID156750193
Molecular FormulaC13H14F4O2
Molecular Weight278.25 g/mol
Exact Mass278.09
IUPAC Name4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane
SMILESCOc1c(C2COC(C(F)(F)F)C2)ccc(F)c1C
InChIInChI=1S/C13H14F4O2/c1-7-10(14)4-3-9(12(7)18-2)8-5-11(19-6-8)13(15,16)17/h3-4,8,11H,5-6H2,1-2H3
InChIKeyCZZNXUMKJOBWBF-UHFFFAOYSA-N
XLogP3.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-fluoro-2-methoxy-3-methylphenyl)-2,5-dioxaspiro[3.4]octane
CID 166159884
4-[2-chloro-4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)oxolane
CID 166158947
4-[[(2R,3R,5S)-3-(4-fluoro-2-methoxy-3-methylphenyl)-5-(trifluoromethyl)oxolane-2-carbonyl]amino]pyridine-2-carboxamide
CID 169046967
ethyl 3-(4-fluoro-2-methoxy-3-methylphenyl)-5-methyl-5-(trifluoromethyl)oxolane-2-carboxylate
CID 166159343
(2S,4R)-4-(3-ethyl-4-fluoro-2-methoxyphenyl)-2-methyl-2-(trifluoromethyl)oxolane
CID 156545916
2-(2,4-difluoro-3-methoxyphenyl)-1,3-dioxolane
CID 162421197
[[4-(3,4-difluoro-2-methoxyphenyl)-3-methyloxolan-2-yl]-difluoromethyl]phosphane
CID 177218396
N-[6-(1,2-dihydroxyethyl)-3-pyridinyl]formamide;4-(4-fluoro-2-methoxy-3-methylphenyl)-3-methyl-2-(trifluoromethyl)oxolane
CID 166159007
4-(3,4-difluoro-2-methoxyphenyl)-2,3-dimethyloxolane
CID 156750267
6-fluoro-5-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline
CID 83377554
4-(3-fluoro-2-methoxyphenyl)-1-methylpiperidine
CID 58103915
5-(2,3-difluoro-4-methylphenyl)-2-[difluoro-(3,4,5-trifluorophenoxy)methyl]oxane
CID 135223858

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane?
The IUPAC name of 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane (CID 156750193) is 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane.
What is the SMILES notation for 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane?
The canonical SMILES for 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane is COc1c(C2COC(C(F)(F)F)C2)ccc(F)c1C.
What is the InChIKey of 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane?
The InChIKey is CZZNXUMKJOBWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4O2/c1-7-10(14)4-3-9(12(7)18-2)8-5-11(19-6-8)13(15,16)17/h3-4,8,11H,5-6H2,1-2H3.
What are the key properties of 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane?
4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane has a molecular weight of 278.25 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-methoxy-3-methylphenyl)-2-(trifluoromethyl)oxolane is sourced from PubChem (CID 156750193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).