1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene

C14H16F6 — CID 129136157

IUPAC1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESCCCC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6/c1-4-5-12(2,3)9-6-10(13(15,16)17)8-11(7-9)14(18,19)20/h6-8H,4-5H2,1-3H3
InChIKeyZXEQKQHEKFTKKY-UHFFFAOYSA-N
MW298.27 g/mol
LogP5.80
Rot. Bonds3

About 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene

1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 129136157) has the molecular formula C14H16F6 and a molecular weight of 298.27 g/mol. Its IUPAC name is 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
PubChem CID129136157
Molecular FormulaC14H16F6
Molecular Weight298.27 g/mol
Exact Mass298.12
IUPAC Name1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESCCCC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H16F6/c1-4-5-12(2,3)9-6-10(13(15,16)17)8-11(7-9)14(18,19)20/h6-8H,4-5H2,1-3H3
InChIKeyZXEQKQHEKFTKKY-UHFFFAOYSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.27
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-amino-2-[3,5-bis(trifluoromethyl)phenyl]propan-1-ol
CID 54979927
2-[3-propyl-5-(trifluoromethyl)phenyl]propan-2-ol
CID 162614763
1-(2-methylpentan-2-yl)-4-(trifluoromethoxy)benzene
CID 134341639
1-propoxy-3,5-bis(trifluoromethyl)benzene
CID 23395147
1-(2-ethyl-2-methylbutyl)-3,5-bis(trifluoromethyl)benzene
CID 134492440
1,3-dipropyl-5-(trifluoromethyl)benzene
CID 58332275
1-ethyl-3,5-bis(trifluoromethyl)benzene;methanamine
CID 142869600
[3,5-bis(trifluoromethyl)phenyl]-tributylazanium
CID 158527583
2-[3,5-bis(trifluoromethyl)phenyl]-4,4-dimethylpentan-2-ol
CID 10830106
1-tert-butyl-3-fluoro-5-(trifluoromethyl)benzene
CID 22975209
1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 130251073
1-(3-ethyl-3-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 145045291

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene (CID 129136157) is 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene is CCCC(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is ZXEQKQHEKFTKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F6/c1-4-5-12(2,3)9-6-10(13(15,16)17)8-11(7-9)14(18,19)20/h6-8H,4-5H2,1-3H3.
What are the key properties of 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene?
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 298.27 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 129136157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).