ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane

C13H20F4 — CID 142299997

IUPACethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
SMILESCC.CC(C)C.Fc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4.C4H10.C2H6/c8-6-4-2-1-3-5(6)7(9,10)11;1-4(2)3;1-2/h1-4H;4H,1-3H3;1-2H3
InChIKeyMJBNZSRHEVHVFF-UHFFFAOYSA-N
MW252.29 g/mol
LogP5.53
Rot. Bonds

About ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane

ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane (PubChem CID 142299997) has the molecular formula C13H20F4 and a molecular weight of 252.29 g/mol. Its IUPAC name is ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane.

Molecular Properties

Compound Nameethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
PubChem CID142299997
Molecular FormulaC13H20F4
Molecular Weight252.29 g/mol
Exact Mass252.15
IUPAC Nameethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane
SMILESCC.CC(C)C.Fc1ccccc1C(F)(F)F
InChIInChI=1S/C7H4F4.C4H10.C2H6/c8-6-4-2-1-3-5(6)7(9,10)11;1-4(2)3;1-2/h1-4H;4H,1-3H3;1-2H3
InChIKeyMJBNZSRHEVHVFF-UHFFFAOYSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.29
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
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CID 69226515
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ethane;2-(trifluoromethyl)phenol
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ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
CID 166104050
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
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3-(2-fluorophenyl)-2-methylpentan-3-amine
CID 62501287
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
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Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane?
The IUPAC name of ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane (CID 142299997) is ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane.
What is the SMILES notation for ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane?
The canonical SMILES for ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane is CC.CC(C)C.Fc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane?
The InChIKey is MJBNZSRHEVHVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4.C4H10.C2H6/c8-6-4-2-1-3-5(6)7(9,10)11;1-4(2)3;1-2/h1-4H;4H,1-3H3;1-2H3.
What are the key properties of ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane?
ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane has a molecular weight of 252.29 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-2-(trifluoromethyl)benzene;2-methylpropane is sourced from PubChem (CID 142299997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).