5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene

C14H21FO — CID 143945190

IUPAC5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
SMILESCc1cc(C(C)(C)C)cc(C)c1OCCF
InChIInChI=1S/C14H21FO/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9H,6-7H2,1-5H3
InChIKeyMSPCEKZQVZVBFD-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.95
Rot. Bonds3

About 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene

5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene (PubChem CID 143945190) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
PubChem CID143945190
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene
SMILESCc1cc(C(C)(C)C)cc(C)c1OCCF
InChIInChI=1S/C14H21FO/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9H,6-7H2,1-5H3
InChIKeyMSPCEKZQVZVBFD-UHFFFAOYSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,5-ditert-butyl-2-(3-fluoropropoxy)-3-iodobenzene
CID 11079706
4-(2-fluoroethoxy)-N'-hydroxy-3,5-dimethylbenzenecarboximidamide
CID 80695553
1-[4-(2-fluoroethoxy)-3,5-dimethylphenyl]butan-2-amine
CID 80695276
4-(2-fluoroethoxy)-2,3,5-trimethylbenzenesulfonyl chloride
CID 80699431
2-[4-[2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-4-methylpentan-2-yl]-2,6-dimethylphenoxy]ethanol
CID 21257879
2-[4-(3-fluoropropoxy)-3,5-dimethylphenyl]ethanamine
CID 81113900
5-tert-butyl-1-fluoro-3-methyl-2-(2-methylpropoxy)benzene
CID 146426251
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
5-chloro-2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]-1,3-dimethylbenzene
CID 123242846
5-tert-butyl-1,3-dimethyl-2-[(E)-5,5,6,6-tetramethylhept-2-enoxy]benzene
CID 166671522
4-(3-fluoropropoxy)-3,5-dimethylbenzenecarbothioamide
CID 81105439
5,11,17,23,29,35-hexatert-butyl-37,38,39,40,41,42-hexakis(2-methoxyethoxy)heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene
CID 13496654

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene?
The IUPAC name of 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene (CID 143945190) is 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene.
What is the SMILES notation for 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene?
The canonical SMILES for 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene is Cc1cc(C(C)(C)C)cc(C)c1OCCF.
What is the InChIKey of 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene?
The InChIKey is MSPCEKZQVZVBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-10-8-12(14(3,4)5)9-11(2)13(10)16-7-6-15/h8-9H,6-7H2,1-5H3.
What are the key properties of 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene?
5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene has a molecular weight of 224.32 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-fluoroethoxy)-1,3-dimethylbenzene is sourced from PubChem (CID 143945190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).