1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene

C9H6F6 — CID 141060662

IUPAC1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
SMILESFCC(F)(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6/c10-5-8(11,12)6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2
InChIKeyNLLLXEDUSFCPAW-UHFFFAOYSA-N
MW228.14 g/mol
LogP3.77
Rot. Bonds2

About 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene

1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene (PubChem CID 141060662) has the molecular formula C9H6F6 and a molecular weight of 228.14 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
PubChem CID141060662
Molecular FormulaC9H6F6
Molecular Weight228.14 g/mol
Exact Mass228.04
IUPAC Name1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene
SMILESFCC(F)(F)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H6F6/c10-5-8(11,12)6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2
InChIKeyNLLLXEDUSFCPAW-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[1,1-bis[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzene
CID 158487114
1,1,2,2-tetrakis[3-(trifluoromethyl)phenyl]ethane-1,2-diol
CID 3857608
1-[3-(1,1,2-trifluoroethyl)phenyl]ethanone
CID 70664342
1-[2-methyl-1-[2-methyl-2-[3-(trifluoromethyl)phenyl]propoxy]propan-2-yl]-3-(trifluoromethyl)benzene
CID 57305563
CID 175024137
CID 175024137
2-[3-(1,1-difluoropropyl)phenyl]propan-2-amine
CID 116992517
3-(trifluoromethyl)benzenethiolate
CID 6930699
[3-(trifluoromethyl)phenyl]aluminum(2+)
CID 87243472
CID 57448987
CID 57448987
CID 86152769
CID 86152769
(2R)-2-amino-2-[3-(trifluoromethyl)phenyl]propan-1-ol;hydrochloride
CID 66678514
3-(trifluoromethyl)phenol;hydrochloride
CID 175833042

Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene (CID 141060662) is 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene is FCC(F)(F)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene?
The InChIKey is NLLLXEDUSFCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6/c10-5-8(11,12)6-2-1-3-7(4-6)9(13,14)15/h1-4H,5H2.
What are the key properties of 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene?
1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene has a molecular weight of 228.14 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroethyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 141060662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).