1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene

C16H20F6O2 — CID 20728984

IUPAC1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
SMILESCCCc1cccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C16H20F6O2/c1-4-7-12-8-6-9-13(10-12)14(15(17,18)19,16(20,21)22)24-11(3)23-5-2/h6,8-11H,4-5,7H2,1-3H3
InChIKeyHAJXBHZGNURJES-UHFFFAOYSA-N
MW358.32 g/mol
LogP5.36
Rot. Bonds7

About 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene

1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene (PubChem CID 20728984) has the molecular formula C16H20F6O2 and a molecular weight of 358.32 g/mol. Its IUPAC name is 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene.

Molecular Properties

Compound Name1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
PubChem CID20728984
Molecular FormulaC16H20F6O2
Molecular Weight358.32 g/mol
Exact Mass358.14
IUPAC Name1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene
SMILESCCCc1cccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)c1
InChIInChI=1S/C16H20F6O2/c1-4-7-12-8-6-9-13(10-12)14(15(17,18)19,16(20,21)22)24-11(3)23-5-2/h6,8-11H,4-5,7H2,1-3H3
InChIKeyHAJXBHZGNURJES-UHFFFAOYSA-N
XLogP5.36
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.32
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]benzene
CID 157142013
1,1,1,3,3,3-hexafluoro-2-(3-propylphenyl)propan-2-ol
CID 20728974
3-amino-1,1,1-trifluoro-2-(3-propylphenyl)propan-2-ol
CID 116545598
4,5,5,5-tetrafluoro-2-(3-propylphenyl)-4-(trifluoromethyl)pentan-2-ol
CID 156764819
3-(3-propylphenyl)pentan-3-ol
CID 116542305
1-(2-methylsulfanylpropan-2-yl)-3-propylbenzene
CID 91471137
1-tert-butyl-3-(2,2-dimethylpropyl)benzene;1-(2,2-dimethylpropyl)-3-propylbenzene
CID 145400173
N-methyl-1-(3-propylphenyl)ethanamine
CID 59900502
1-(3,5-dimethylphenyl)-1-(3-propylphenyl)ethanol
CID 116542790
1-methoxy-2-(3-propylphenyl)propan-2-amine
CID 116542989
N-methyl-1-[3-(3-propylphenyl)phenyl]ethanamine
CID 116545342
1-(diethoxymethyl)-2-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 159790830

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene?
The IUPAC name of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene (CID 20728984) is 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene.
What is the SMILES notation for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene?
The canonical SMILES for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene is CCCc1cccc(C(OC(C)OCC)(C(F)(F)F)C(F)(F)F)c1.
What is the InChIKey of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene?
The InChIKey is HAJXBHZGNURJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F6O2/c1-4-7-12-8-6-9-13(10-12)14(15(17,18)19,16(20,21)22)24-11(3)23-5-2/h6,8-11H,4-5,7H2,1-3H3.
What are the key properties of 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene?
1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene has a molecular weight of 358.32 g/mol, XLogP of 5.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethoxyethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-3-propylbenzene is sourced from PubChem (CID 20728984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).