1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene

C14H19F3O2 — CID 64766053

IUPAC1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
SMILESCC(C)c1ccc(OCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-11(2)12-4-6-13(7-5-12)19-9-3-8-18-10-14(15,16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyLCIASEWWFDPSCR-UHFFFAOYSA-N
MW276.30 g/mol
LogP4.16
Rot. Bonds7

About 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene

1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene (PubChem CID 64766053) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene.

Molecular Properties

Compound Name1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
PubChem CID64766053
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
SMILESCC(C)c1ccc(OCCCOCC(F)(F)F)cc1
InChIInChI=1S/C14H19F3O2/c1-11(2)12-4-6-13(7-5-12)19-9-3-8-18-10-14(15,16)17/h4-7,11H,3,8-10H2,1-2H3
InChIKeyLCIASEWWFDPSCR-UHFFFAOYSA-N
XLogP4.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]ethanamine
CID 61491408
1-tert-butyl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene
CID 64765867
1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-ol
CID 115495880
4-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]aniline
CID 61491160
N-methyl-1-[4-[3-(2,2,2-trifluoroethoxy)propoxy]phenyl]propan-2-amine
CID 115494634
1-propan-2-yl-4-[5-[2-(2-propoxyethoxy)ethoxy]pentoxy]benzene
CID 176559998
1-(4,4,5,5,5-pentafluoropentoxy)-4-propan-2-ylbenzene
CID 129166789
1-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]propan-1-amine
CID 61492150
2-methyl-1-[2-(4-propan-2-ylphenoxy)ethoxy]propan-2-amine
CID 82354139
4-(2,2,2-trifluoroethoxy)butoxybenzene
CID 23282430
ethane;1-(3-methoxypropoxy)-4-propan-2-ylbenzene
CID 177171107
4-[2-(2,2,2-trifluoroethoxy)ethoxy]aniline
CID 43365871

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene?
The IUPAC name of 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene (CID 64766053) is 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene.
What is the SMILES notation for 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene?
The canonical SMILES for 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene is CC(C)c1ccc(OCCCOCC(F)(F)F)cc1.
What is the InChIKey of 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene?
The InChIKey is LCIASEWWFDPSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-11(2)12-4-6-13(7-5-12)19-9-3-8-18-10-14(15,16)17/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene?
1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene has a molecular weight of 276.30 g/mol, XLogP of 4.16, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[3-(2,2,2-trifluoroethoxy)propoxy]benzene is sourced from PubChem (CID 64766053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).