ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene

C19H24F4 — CID 166104050

IUPACethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCC.CC(C)c1ccc(F)cc1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H11F.C8H7F3.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-6-4-2-3-5-7(6)8(9,10)11;1-2/h3-7H,1-2H3;2-5H,1H3;1-2H3
InChIKeyRJBZSINBUMTQGA-UHFFFAOYSA-N
MW328.39 g/mol
LogP6.99
Rot. Bonds1

About ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene

ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene (PubChem CID 166104050) has the molecular formula C19H24F4 and a molecular weight of 328.39 g/mol. Its IUPAC name is ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Nameethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
PubChem CID166104050
Molecular FormulaC19H24F4
Molecular Weight328.39 g/mol
Exact Mass328.18
IUPAC Nameethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene
SMILESCC.CC(C)c1ccc(F)cc1.Cc1ccccc1C(F)(F)F
InChIInChI=1S/C9H11F.C8H7F3.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-6-4-2-3-5-7(6)8(9,10)11;1-2/h3-7H,1-2H3;2-5H,1H3;1-2H3
InChIKeyRJBZSINBUMTQGA-UHFFFAOYSA-N
XLogP6.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.39
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Bis(1-methylethyl)benzene
CID 11345
2-Benzyltoluene
CID 69738
2-Fluorobiphenyl
CID 67579
2-Methylbiphenyl
CID 12563
Benzene, 1,2-dimethyl-4-(1-phenylethyl)-
CID 22570
Isopropylbiphenyl
CID 20259910
1,1-Bis(3,4-dimethylphenyl)ethane
CID 74448
3-Fluoro-o-xylene
CID 96489
Benzene, ethyl(phenylethyl)-, mono-ar-ethyl deriv.
CID 521817
4-Trifluoromethylbiphenyl
CID 9877863
meso-2,3-Diphenylbutane
CID 20735
1-Phenyl-1-(2,4-xylyl)ethane
CID 93022

Frequently Asked Questions

What is the IUPAC name of ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene?
The IUPAC name of ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene (CID 166104050) is ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene?
The canonical SMILES for ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene is CC.CC(C)c1ccc(F)cc1.Cc1ccccc1C(F)(F)F.
What is the InChIKey of ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene?
The InChIKey is RJBZSINBUMTQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F.C8H7F3.C2H6/c1-7(2)8-3-5-9(10)6-4-8;1-6-4-2-3-5-7(6)8(9,10)11;1-2/h3-7H,1-2H3;2-5H,1H3;1-2H3.
What are the key properties of ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene?
ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene has a molecular weight of 328.39 g/mol, XLogP of 6.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-fluoro-4-propan-2-ylbenzene;1-methyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 166104050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).