ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene

C13H19F3O — CID 142580801

IUPACethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC.CCCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O.C2H6/c1-2-5-9-6-3-4-7-10(9)15-8-11(12,13)14;1-2/h3-4,6-7H,2,5,8H2,1H3;1-2H3
InChIKeyUDNLVTIHZXYKGA-UHFFFAOYSA-N
MW248.29 g/mol
LogP4.61
Rot. Bonds4

About ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene

ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 142580801) has the molecular formula C13H19F3O and a molecular weight of 248.29 g/mol. Its IUPAC name is ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Nameethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID142580801
Molecular FormulaC13H19F3O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Nameethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC.CCCc1ccccc1OCC(F)(F)F
InChIInChI=1S/C11H13F3O.C2H6/c1-2-5-9-6-3-4-7-10(9)15-8-11(12,13)14;1-2/h3-4,6-7H,2,5,8H2,1H3;1-2H3
InChIKeyUDNLVTIHZXYKGA-UHFFFAOYSA-N
XLogP4.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene (CID 142580801) is ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene is CC.CCCc1ccccc1OCC(F)(F)F.
What is the InChIKey of ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is UDNLVTIHZXYKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O.C2H6/c1-2-5-9-6-3-4-7-10(9)15-8-11(12,13)14;1-2/h3-4,6-7H,2,5,8H2,1H3;1-2H3.
What are the key properties of ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene?
ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 248.29 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-propyl-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 142580801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).