2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane

C12H16F4 — CID 155699837

IUPAC2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
SMILESCC.CC(C)(C)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C10H10F4.C2H6/c1-10(2,3)7-5(11)4-6(12)8(13)9(7)14;1-2/h4H,1-3H3;1-2H3
InChIKeyJHZKRHZGCHCIMC-UHFFFAOYSA-N
MW236.25 g/mol
LogP4.57
Rot. Bonds

About 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane

2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane (PubChem CID 155699837) has the molecular formula C12H16F4 and a molecular weight of 236.25 g/mol. Its IUPAC name is 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane.

Molecular Properties

Compound Name2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
PubChem CID155699837
Molecular FormulaC12H16F4
Molecular Weight236.25 g/mol
Exact Mass236.12
IUPAC Name2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
SMILESCC.CC(C)(C)c1c(F)cc(F)c(F)c1F
InChIInChI=1S/C10H10F4.C2H6/c1-10(2,3)7-5(11)4-6(12)8(13)9(7)14;1-2/h4H,1-3H3;1-2H3
InChIKeyJHZKRHZGCHCIMC-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethane;fluoromethane;1,2,3,4,5-pentafluorobenzene
CID 165395755
3-tert-butyl-4,5-difluorobenzene-1,2-diol
CID 87961156
2-tert-butyl-1,3,5-trifluoro-4-(trifluoromethyl)benzene;oxolane
CID 158693133
3,4,6-trifluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117294409
CID 172801487
CID 172801487
ethane;1,2,4,5-tetrafluoro-3-methylbenzene
CID 143259717
magnesium;1,2,3,4,5-pentafluorobenzene;dibromide
CID 157145782
1,2,3,5-tetrafluoro-4-[(2-methylpropan-2-yl)oxy]benzene
CID 167118771
2-tert-butyl-3,5-difluorophenol
CID 118328413
ethane;2,3,5,6-tetrafluoroaniline
CID 154678720
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
CID 173182286
CID 173182286

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane?
The IUPAC name of 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane (CID 155699837) is 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane.
What is the SMILES notation for 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane?
The canonical SMILES for 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane is CC.CC(C)(C)c1c(F)cc(F)c(F)c1F.
What is the InChIKey of 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane?
The InChIKey is JHZKRHZGCHCIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4.C2H6/c1-10(2,3)7-5(11)4-6(12)8(13)9(7)14;1-2/h4H,1-3H3;1-2H3.
What are the key properties of 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane?
2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane has a molecular weight of 236.25 g/mol, XLogP of 4.57, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane is sourced from PubChem (CID 155699837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).