1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene

C12H17FO — CID 122489122

IUPAC1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)OCCF
InChIInChI=1S/C12H17FO/c1-10-6-4-5-7-11(10)12(2,3)14-9-8-13/h4-7H,8-9H2,1-3H3
InChIKeyWCWACSQMULWWRL-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.22
Rot. Bonds4

About 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene

1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene (PubChem CID 122489122) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene.

Molecular Properties

Compound Name1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
PubChem CID122489122
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene
SMILESCc1ccccc1C(C)(C)OCCF
InChIInChI=1S/C12H17FO/c1-10-6-4-5-7-11(10)12(2,3)14-9-8-13/h4-7H,8-9H2,1-3H3
InChIKeyWCWACSQMULWWRL-UHFFFAOYSA-N
XLogP3.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
O-Methylbenzyl acetate
CID 87085
Benzyl methyl ether
CID 10869
Benzyl octyl ether
CID 347508
Allyl benzyl ether
CID 84542
Bis(1-phenylethyl) ether
CID 62342
1,3-Dihydroisobenzofuran
CID 10327
2-Methyl-2-phenyloxirane
CID 16398
Isoamyl benzyl ether
CID 31227
2,2-Diphenyltetrahydrofuran
CID 70175
Methyl trityl ether
CID 136388

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene?
The IUPAC name of 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene (CID 122489122) is 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene.
What is the SMILES notation for 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene?
The canonical SMILES for 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene is Cc1ccccc1C(C)(C)OCCF.
What is the InChIKey of 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene?
The InChIKey is WCWACSQMULWWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-10-6-4-5-7-11(10)12(2,3)14-9-8-13/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene?
1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene has a molecular weight of 196.26 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoroethoxy)propan-2-yl]-2-methylbenzene is sourced from PubChem (CID 122489122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).