1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene

C12H14F4 — CID 121403127

IUPAC1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H14F4/c1-11(2,3)7-8-5-4-6-9(10(8)13)12(14,15)16/h4-6H,7H2,1-3H3
InChIKeyYHVUKFYJYSBFEK-UHFFFAOYSA-N
MW234.24 g/mol
LogP4.43
Rot. Bonds1

About 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene

1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene (PubChem CID 121403127) has the molecular formula C12H14F4 and a molecular weight of 234.24 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
PubChem CID121403127
Molecular FormulaC12H14F4
Molecular Weight234.24 g/mol
Exact Mass234.10
IUPAC Name1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
SMILESCC(C)(C)Cc1cccc(C(F)(F)F)c1F
InChIInChI=1S/C12H14F4/c1-11(2,3)7-8-5-4-6-9(10(8)13)12(14,15)16/h4-6H,7H2,1-3H3
InChIKeyYHVUKFYJYSBFEK-UHFFFAOYSA-N
XLogP4.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.24
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-fluoro-3-(trifluoromethyl)phenyl]-N-methoxymethanamine
CID 117319008
tert-butyl N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 86617534
tert-butyl-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]carbamic acid
CID 67461831
2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
N-decyl-2-fluoro-3-(trifluoromethyl)aniline
CID 151081147
2-chloro-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]acetamide
CID 162625143
methyl 3-[2-fluoro-3-(trifluoromethyl)phenyl]propanoate
CID 175837074
(2S)-2-N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]propane-1,2-diamine
CID 104867846
N-[[2-fluoro-3-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 68941723
2-N',2-N'-diethyl-1-[2-(trifluoromethyl)phenyl]propane-2,2-diamine
CID 84748030
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
2-methyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
CID 86277095

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene (CID 121403127) is 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene is CC(C)(C)Cc1cccc(C(F)(F)F)c1F.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene?
The InChIKey is YHVUKFYJYSBFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4/c1-11(2,3)7-8-5-4-6-9(10(8)13)12(14,15)16/h4-6H,7H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene?
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene has a molecular weight of 234.24 g/mol, XLogP of 4.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene is sourced from PubChem (CID 121403127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).