ethane;2,2,2-trifluoroethylbenzene

C10H13F3 — CID 142152613

IUPACethane;2,2,2-trifluoroethylbenzene
SMILESCC.FC(F)(F)Cc1ccccc1
InChIInChI=1S/C8H7F3.C2H6/c9-8(10,11)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1-2H3
InChIKeyUBAYGESOUCKLPE-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.82
Rot. Bonds1

About ethane;2,2,2-trifluoroethylbenzene

ethane;2,2,2-trifluoroethylbenzene (PubChem CID 142152613) has the molecular formula C10H13F3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethane;2,2,2-trifluoroethylbenzene.

Molecular Properties

Compound Nameethane;2,2,2-trifluoroethylbenzene
PubChem CID142152613
Molecular FormulaC10H13F3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethane;2,2,2-trifluoroethylbenzene
SMILESCC.FC(F)(F)Cc1ccccc1
InChIInChI=1S/C8H7F3.C2H6/c9-8(10,11)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1-2H3
InChIKeyUBAYGESOUCKLPE-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

azane;2,2,2-trifluoroethylbenzene;hydrochloride
CID 175467010
1-benzyl-4-(2,2,2-trifluoroethyl)benzene
CID 172715361
(2-fluoro-2-methylpropyl)benzene
CID 14343442
2,2-difluorobutylbenzene
CID 12695736
ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
N,N-dibenzyl-4-(2,2,2-trifluoroethyl)aniline
CID 142549273
1-[(E)-2-phenylethenyl]-4-(2,2,2-trifluoroethyl)benzene
CID 122231581
(5,5,5-trifluoro-2,2-dimethylpentyl)benzene
CID 70815571
(4,4,4-trifluoro-2-iodo-2-methylbutyl)benzene
CID 139678016
3-(2,2,2-trifluoroethyl)aniline
CID 54595012
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
4-(2,2,2-trifluoroethyl)aniline
CID 14836858

Frequently Asked Questions

What is the IUPAC name of ethane;2,2,2-trifluoroethylbenzene?
The IUPAC name of ethane;2,2,2-trifluoroethylbenzene (CID 142152613) is ethane;2,2,2-trifluoroethylbenzene.
What is the SMILES notation for ethane;2,2,2-trifluoroethylbenzene?
The canonical SMILES for ethane;2,2,2-trifluoroethylbenzene is CC.FC(F)(F)Cc1ccccc1.
What is the InChIKey of ethane;2,2,2-trifluoroethylbenzene?
The InChIKey is UBAYGESOUCKLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3.C2H6/c9-8(10,11)6-7-4-2-1-3-5-7;1-2/h1-5H,6H2;1-2H3.
What are the key properties of ethane;2,2,2-trifluoroethylbenzene?
ethane;2,2,2-trifluoroethylbenzene has a molecular weight of 190.21 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,2-trifluoroethylbenzene is sourced from PubChem (CID 142152613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).