ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene

C11H15F3 — CID 143144792

IUPACethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
SMILESCC.Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C9H9F3.C2H6/c1-7-2-4-8(5-3-7)6-9(10,11)12;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyONLHIDSTFGDEDV-UHFFFAOYSA-N
MW204.23 g/mol
LogP4.13
Rot. Bonds1

About ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene

ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene (PubChem CID 143144792) has the molecular formula C11H15F3 and a molecular weight of 204.23 g/mol. Its IUPAC name is ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
PubChem CID143144792
Molecular FormulaC11H15F3
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Nameethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
SMILESCC.Cc1ccc(CC(F)(F)F)cc1
InChIInChI=1S/C9H9F3.C2H6/c1-7-2-4-8(5-3-7)6-9(10,11)12;1-2/h2-5H,6H2,1H3;1-2H3
InChIKeyONLHIDSTFGDEDV-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
CID 143347604
ethane;2,2,2-trifluoroethylbenzene
CID 142152613
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
2,2-difluoro-3-(4-methylphenyl)propanal
CID 105440973
2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105452062
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
1-[2,2-bis(bromomethyl)butyl]-4-methylbenzene
CID 79455954
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
1-(2,2-difluoro-2-isocyanatoethyl)-4-methylbenzene
CID 105450438
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
(1R)-1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 96762163
1-[2,2-bis(chloromethyl)-3-(4-methylphenyl)propyl]-4-methylbenzene
CID 134888789

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The IUPAC name of ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene (CID 143144792) is ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene.
What is the SMILES notation for ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The canonical SMILES for ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene is CC.Cc1ccc(CC(F)(F)F)cc1.
What is the InChIKey of ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
The InChIKey is ONLHIDSTFGDEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3.C2H6/c1-7-2-4-8(5-3-7)6-9(10,11)12;1-2/h2-5H,6H2,1H3;1-2H3.
What are the key properties of ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene?
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene has a molecular weight of 204.23 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene is sourced from PubChem (CID 143144792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).