1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene

C16H22F4O — CID 15514819

IUPAC1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H22F4O/c1-14(2,3)10-15(4,5)11-6-8-12(9-7-11)21-16(19,20)13(17)18/h6-9,13H,10H2,1-5H3
InChIKeyAYAUOMXPHJVCLG-UHFFFAOYSA-N
MW306.34 g/mol
LogP5.64
Rot. Bonds5

About 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene

1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene (PubChem CID 15514819) has the molecular formula C16H22F4O and a molecular weight of 306.34 g/mol. Its IUPAC name is 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene.

Molecular Properties

Compound Name1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
PubChem CID15514819
Molecular FormulaC16H22F4O
Molecular Weight306.34 g/mol
Exact Mass306.16
IUPAC Name1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene
SMILESCC(C)(C)CC(C)(C)c1ccc(OC(F)(F)C(F)F)cc1
InChIInChI=1S/C16H22F4O/c1-14(2,3)10-15(4,5)11-6-8-12(9-7-11)21-16(19,20)13(17)18/h6-9,13H,10H2,1-5H3
InChIKeyAYAUOMXPHJVCLG-UHFFFAOYSA-N
XLogP5.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.34
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-iodo-4-(1,1,2,2-tetrafluoroethoxy)benzene
CID 26985388
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2,2,2-trifluoroacetate
CID 71672718
1-phosphorosooxy-4-(2,4,4-trimethylpentan-2-yl)benzene
CID 174932770
potassium trifluoro-[[4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]boranuide
CID 63703366
[4-(2,4,4-trimethylpentan-2-yl)phenyl] 2,2-bis(trifluoromethyl)butanoate
CID 71671870
1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-2-amine
CID 170890919
2,2-dimethyl-1-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-one
CID 146008854
2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetonitrile
CID 22688446
trifluoromethylsulfonyl trifluoromethanesulfonate;4-(2,4,4-trimethylpentan-2-yl)phenol;[4-(2,4,4-trimethylpentan-2-yl)phenyl] trifluoromethanesulfonate
CID 160617511
2-methyl-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propanenitrile
CID 43367422
(3S)-3-amino-2,2-dimethyl-3-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]propan-1-ol
CID 171249265
1-methoxy-3-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]propan-2-amine
CID 107506531

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The IUPAC name of 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene (CID 15514819) is 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene.
What is the SMILES notation for 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The canonical SMILES for 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene is CC(C)(C)CC(C)(C)c1ccc(OC(F)(F)C(F)F)cc1.
What is the InChIKey of 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
The InChIKey is AYAUOMXPHJVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F4O/c1-14(2,3)10-15(4,5)11-6-8-12(9-7-11)21-16(19,20)13(17)18/h6-9,13H,10H2,1-5H3.
What are the key properties of 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene?
1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene has a molecular weight of 306.34 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2,2-tetrafluoroethoxy)-4-(2,4,4-trimethylpentan-2-yl)benzene is sourced from PubChem (CID 15514819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).